data_2kn2_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 2kn2 _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 ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HZ2' HE21 ' A' ' 22' ' ' GLN . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.56 HE21 ' HZ2' ' A' ' 16' ' ' LYS . 39.6 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.706 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' ILE . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD1' ' HZ3' ' A' ' 69' ' ' LYS . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.415 ' CZ ' ' CG2' ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.504 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.589 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.878 0.37 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.526 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.415 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 79.7 mm-40 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.684 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.557 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.505 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 26' ' ' ILE . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 23' ' ' ASN . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 48.8 m170 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.579 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.536 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.419 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 80' ' ' GLY . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 2.2 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.571 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.411 ' CG1' ' O ' ' A' ' 71' ' ' MET . 10.7 p . . . . . 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 . . . . . 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.616 0.246 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.779 0.323 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.449 ' OG ' ' OE1' ' A' ' 30' ' ' GLU . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' OE1' ' OG ' ' A' ' 27' ' ' SER . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 29' ' ' SER . 21.5 m-70 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 ' H ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.9 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.673 0.273 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.409 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.409 ' CG2' ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 70' ' ' MET . 9.9 p . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 . . . . . 0 C--O 1.228 -0.041 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.7 ' HG ' ' H ' ' A' ' 28' ' ' ALA . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.7 ' H ' ' HG ' ' A' ' 27' ' ' SER . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.798 HD21 ' H ' ' A' ' 65' ' ' GLU . 1.1 t30 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.536 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.798 ' H ' HD21 ' A' ' 63' ' ' ASN . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.45 ' O ' ' SD ' ' A' ' 72' ' ' MET . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.442 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 51' ' ' ILE . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.729 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.543 ' SD ' ' NE1' ' A' ' 83' ' ' TRP . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 70' ' ' MET . 21.8 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 80' ' ' GLY . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 36' ' ' ILE . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 70' ' ' MET . 24.0 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 HD11 HG23 ' A' ' 26' ' ' ILE . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 29' ' ' SER . 26.2 m-70 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.696 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 87.5 mm-40 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.696 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 6.5 t-20 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.493 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.5 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' ARG . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.0 mmt180 . . . . . 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.563 ' OD1' ' ND2' ' A' ' 23' ' ' ASN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD21 ' A' ' 23' ' ' ASN . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.584 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 52.5 m170 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' MET . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.49 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 3.8 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.64 ' SD ' ' NE1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.596 ' SD ' ' NH1' ' A' ' 87' ' ' ARG . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.951 0.405 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' OE1' ' N ' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 29' ' ' SER . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CE2' ' CG2' ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.435 ' CG2' ' CE2' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 70' ' ' MET . 4.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.578 0.227 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 26' ' ' ILE . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.465 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.668 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 96.0 mm-40 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.668 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.7 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.526 0.041 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 29' ' ' SER . 25.0 m-70 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' THR . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' LYS . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.414 ' NH1' ' NH1' ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' NH1' ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 CA--C 1.525 -0.01 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.414 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.414 ' OE1' ' CG2' ' A' ' 43' ' ' THR . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.635 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 1.6 t-20 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.673 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 70' ' ' MET . 25.3 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 26.1 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.504 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 26' ' ' ILE . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 29' ' ' SER . 41.6 m-70 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 5.1 pt20 -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 51' ' ' ILE . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.433 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' NE2' ' CD1' ' A' ' 25' ' ' TYR . 14.3 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.439 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 40.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.444 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.574 ' CD1' ' HZ1' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.677 HD21 ' N ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HZ1' ' CD1' ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' A' ' 20' ' ' LYS . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' NE2' ' HZ3' ' A' ' 52' ' ' LYS . 74.6 mm-40 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HZ3' ' NE2' ' A' ' 49' ' ' GLN . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 2.7 t-20 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.709 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 71' ' ' MET . 15.0 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.549 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.695 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.695 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.497 ' H ' ' HG1' ' A' ' 43' ' ' THR . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.556 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.698 0.285 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.651 HD21 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.414 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 70' ' ' MET . 2.5 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.228 -0.074 0 CA-C-O 120.728 0.299 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 51' ' ' ILE . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 63' ' ' ASN . 0.5 OUTLIER -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.45 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' VAL . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' THR . 35.3 m . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.76 0.314 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . 0.782 HD21 ' H ' ' A' ' 65' ' ' GLU . 2.4 t30 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.782 ' H ' HD21 ' A' ' 63' ' ' ASN . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' HZ2' ' CB ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.444 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.448 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 17.1 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 120.624 0.249 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HZ3' HE21 ' A' ' 22' ' ' GLN . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.531 HE21 ' HZ3' ' A' ' 16' ' ' LYS . 32.4 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 29' ' ' SER . 9.3 m-70 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 70' ' ' MET . 20.7 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.813 0.34 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.405 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.7 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.565 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.565 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.626 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.426 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.1 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.712 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.603 ' N ' HD21 ' A' ' 23' ' ' ASN . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.712 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.467 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.475 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 CA--C 1.525 0.011 0 CA-C-O 120.788 0.328 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.523 ' H ' ' CG1' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 70' ' ' MET . . . . . 0.495 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 34.8 p80 40.38 25.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 1' ' ' GLY . 77.8 mtm -65.01 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.592 ' O ' ' OG1' ' A' ' 5' ' ' THR . 3.6 m-20 65.51 -145.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.274 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.592 ' OG1' ' O ' ' A' ' 4' ' ' ASP . 3.9 p 77.9 -29.14 0.16 Allowed 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.646 0.591 . . . . 0.0 110.978 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.466 ' H ' ' C ' ' A' ' 4' ' ' ASP . 66.5 m-20 -46.22 -17.78 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.068 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' N ' ' C ' ' A' ' 5' ' ' THR . . . -83.69 -42.78 16.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.033 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.77 -54.76 37.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.593 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -43.29 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HZ2' HE21 ' A' ' 22' ' ' GLN . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.56 HE21 ' HZ2' ' A' ' 16' ' ' LYS . 39.6 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.706 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.706 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' OE2' ' CD ' ' A' ' 89' ' ' LYS . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 51' ' ' ILE . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD1' ' HZ3' ' A' ' 69' ' ' LYS . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.415 ' CZ ' ' CG2' ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.504 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.589 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ARG . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 89.8 t -41.46 -23.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' THR . 61.7 ttt85 -90.71 83.79 5.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.035 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.3 -38.42 3.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -81.27 -45.78 7.3 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.76 149.09 25.19 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.51 -142.07 4.32 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -160.11 6.42 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.589 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -88.81 -43.64 11.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' CD ' ' OE2' ' A' ' 40' ' ' GLU . 63.3 tttm -72.63 -8.83 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.367 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -80.77 -96.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.684 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -73.14 -73.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.494 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.521 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -99.51 108.67 21.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.282 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.3 mtp -132.1 130.51 41.3 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.483 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' CG ' ' H ' ' A' ' 5' ' ' THR . 45.1 t0 -163.81 -127.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.626 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 43.3 p -62.04 86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 34.9 p-10 -61.48 -33.85 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.29 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -55.87 -56.62 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.451 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -49.83 -39.18 37.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.36 -39.83 85.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.481 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.526 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.527 ' CD ' ' HZ3' ' A' ' 89' ' ' LYS . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.415 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.684 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 79.7 mm-40 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.684 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.557 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.557 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.505 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 78' ' ' GLY . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 35.6 t -59.87 -44.86 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -59.04 140.61 55.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.57 -30.47 8.29 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . 136.56 -31.21 2.61 Favored Glycine 0 N--CA 1.463 0.48 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' THR . . . -56.23 72.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 77' ' ' GLY . . . -158.46 152.01 23.11 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.31 -156.91 16.52 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -74.93 -48.72 23.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.527 ' HZ3' ' CD ' ' A' ' 40' ' ' GLU . 19.2 ptmt -82.41 6.07 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.22 42.98 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.601 . . . . 0.0 110.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 92' ' ' SER . 62.2 m -144.52 148.95 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 91' ' ' SER . 6.7 p . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.527 ' O ' ' CD2' ' A' ' 2' ' ' HIS . 53.6 p-80 -74.46 72.2 1.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.88 97.03 4.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 42.57 30.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.4 p -78.49 92.15 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -62.7 -36.94 84.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.066 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -56.41 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.395 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -52.05 -43.45 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.37 -41.49 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.399 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.413 HD13 HG22 ' A' ' 26' ' ' ILE . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.455 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.426 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.421 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.03 -46.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -90.95 155.37 18.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.75 34.16 43.83 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.14 -71.32 0.09 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.19 133.77 7.7 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.83 101.47 0.17 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.59 134.59 5.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -79.54 -44.99 20.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -77.72 0.85 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.45 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -94.36 45.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' PHE . 7.5 t 61.63 139.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.597 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -81.17 -12.35 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.736 0.303 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -63.1 -39.52 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.421 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -50.15 -89.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.652 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 p -92.57 71.61 5.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 38.7 p-10 -62.73 -34.34 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.33 -55.91 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 8.2 mp0 -51.31 -38.2 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.23 -39.42 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 196' ' ' ' CA' . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 48.8 m170 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.496 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' O ' HG12 ' A' ' 68' ' ' VAL . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.579 ' CG1' ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.579 ' N ' ' CG1' ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.536 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' C ' ' N ' ' A' ' 76' ' ' GLY . 54.5 t -65.14 -10.52 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -46.93 -19.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 74' ' ' VAL . . . 136.62 16.32 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.83 3.77 52.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 160.22 -77.95 0.17 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 60.93 -73.55 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 128.08 -173.23 18.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 80' ' ' GLY . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -75.96 -46.44 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -139.86 93.75 2.69 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.46 -175.15 2.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 0.0 110.397 179.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.428 ' H ' ' HD1' ' A' ' 90' ' ' PHE . 51.0 m -139.85 152.38 46.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 91' ' ' SER . 23.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 19' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.497 ' CD2' ' H ' ' A' ' 2' ' ' HIS . 7.2 p80 -88.87 104.8 17.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.761 0.315 . . . . 0.0 110.421 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.61 103.9 16.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.139 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -98.46 104.46 16.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -136.38 148.39 47.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 37.0 p30 -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.391 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -46.96 -55.62 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -51.06 -41.76 60.11 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.134 0.492 . . . . 0.0 110.674 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.59 -39.74 95.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.216 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 2.2 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.514 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.571 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.571 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.489 ' SD ' ' CE2' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 75' ' ' ARG . 10.7 p -61.17 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.453 ' N ' ' CG1' ' A' ' 74' ' ' VAL . 29.7 ptt180 -91.81 125.68 36.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.088 0.47 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.76 31.61 80.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.61 -45.94 0.02 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.29 -103.04 0.23 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.61 162.01 37.39 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.68 -162.38 14.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -72.49 -49.51 32.55 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -138.64 90.02 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.425 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 91' ' ' SER . 28.1 t80 -79.77 163.4 24.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.6 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 6.2 t -15.55 -77.59 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.142 0.901 . . . . 0.0 111.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.164 178.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 52.85 77.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.0 mtp -86.94 132.8 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 5' ' ' THR . 50.4 t0 -155.91 156.97 35.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.419 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 35.3 p -91.55 96.85 10.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.18 -29.56 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.94 -55.6 30.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -52.71 48.01 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.55 -39.85 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.7 t -59.53 -46.31 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -91.28 119.34 31.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -63.54 0.3 Allowed Glycine 0 N--CA 1.463 0.487 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.33 -57.41 0.95 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.66 150.9 22.44 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.43 90.44 0.08 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.89 117.94 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -51.75 -35.72 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.97 -38.57 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.79 -82.7 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 m -157.32 143.7 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.535 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -66.47 -40.81 89.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.9 mtm -46.76 -84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.527 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD1' ' N ' ' A' ' 4' ' ' ASP . 32.8 p-10 -176.89 76.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.381 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -105.28 113.51 27.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.121 0.486 . . . . 0.0 110.578 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' GLU . 90.5 m-20 -73.47 -35.76 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASP . . . -33.63 -53.01 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.548 0.53 . . . . 0.0 110.349 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.33 -50.1 68.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.33 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ASP . 41.2 tt0 -65.16 -41.16 94.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.273 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.449 ' OG ' ' OE1' ' A' ' 30' ' ' GLU . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' OE1' ' OG ' ' A' ' 27' ' ' SER . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 29' ' ' SER . 21.5 m-70 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 ' H ' HD13 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.9 t -57.6 -52.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -84.6 112.51 20.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.22 -56.81 0.48 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.09 -57.04 1.17 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.13 116.81 0.57 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.27 51.04 0.41 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.19 129.06 1.35 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.38 -45.54 22.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -78.39 1.07 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.747 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.71 41.57 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -137.05 71.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.547 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -79.33 -17.91 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.364 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.08 173.34 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.01 0.433 . . . . 0.0 110.479 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -118.16 95.68 5.0 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 110.426 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 m -107.3 135.86 48.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.559 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.7 -36.39 78.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.006 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -43.84 -57.76 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.313 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -52.38 -47.35 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.309 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.409 ' NZ ' ' CG2' ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' CG2' ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.498 ' SD ' ' CD1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 75' ' ' ARG . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 78' ' ' GLY . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.448 ' CG1' ' O ' ' A' ' 70' ' ' MET . 9.9 p -69.58 -17.37 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' N ' ' O ' ' A' ' 72' ' ' MET . 83.2 mtp180 -101.29 87.3 3.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.08 -24.8 11.7 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.03 -42.34 16.21 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 150.66 -99.28 0.19 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.6 162.38 37.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.39 -158.53 11.8 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -84.55 -46.44 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -79.05 -6.0 55.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.407 ' O ' ' OG ' ' A' ' 91' ' ' SER . 0.6 OUTLIER -72.04 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.217 -179.452 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 90' ' ' PHE . 85.9 p 49.03 -124.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.835 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.518 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -79.04 -17.82 54.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt 45.55 73.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -75.94 118.19 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -56.22 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.37 -43.52 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.261 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.21 -56.35 19.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.591 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.22 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 -57.29 -45.41 84.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.538 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.426 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.7 ' HG ' ' H ' ' A' ' 28' ' ' ALA . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.7 ' H ' ' HG ' ' A' ' 27' ' ' SER . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.416 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.798 HD21 ' H ' ' A' ' 65' ' ' GLU . 1.1 t30 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.536 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.798 ' H ' HD21 ' A' ' 63' ' ' ASN . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.45 ' O ' ' SD ' ' A' ' 72' ' ' MET . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.45 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.442 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.32 -39.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.74 147.9 50.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.216 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -39.76 2.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.84 -30.93 0.67 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.05 -176.4 0.14 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.3 160.21 34.36 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.36 -157.1 7.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -74.57 -45.66 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -139.61 91.64 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 54.1 t80 -161.09 -69.4 0.06 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 p -73.11 169.29 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.366 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.621 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.8 -166.92 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -45.07 -25.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -63.27 150.64 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -92.37 133.94 35.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.48 -37.47 83.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.1 -58.12 3.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.417 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -48.98 -41.69 35.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.04 -39.59 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.468 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.418 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' CD1' ' HZ1' ' A' ' 89' ' ' LYS . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 51' ' ' ILE . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.729 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.543 ' SD ' ' NE1' ' A' ' 83' ' ' TRP . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' A' ' 70' ' ' MET . 21.8 t -61.61 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -91.35 122.94 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.35 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.14 -40.28 1.91 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.22 -45.71 11.12 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 142.71 -100.47 0.25 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.7 164.55 26.12 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.437 ' O ' ' OG ' ' A' ' 84' ' ' SER . . . -86.97 -155.03 27.06 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 80' ' ' GLY . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.66 -47.08 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.404 ' HZ1' ' CD1' ' A' ' 38' ' ' LEU . 10.8 ptpt -45.85 -21.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.74 51.11 0.84 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.8 p -80.1 -6.84 58.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.741 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.528 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.47 -46.85 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.7 mmm -65.02 -42.78 94.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -172.0 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -111.24 133.81 53.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.86 -42.3 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.461 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.62 -59.11 3.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -48.79 -44.18 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.79 -39.57 93.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.491 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.438 HG22 HD13 ' A' ' 36' ' ' ILE . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.435 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.488 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.488 ' N ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 66' ' ' GLU . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.485 ' SD ' ' CG ' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.401 ' CG2' ' O ' ' A' ' 70' ' ' MET . 24.0 t -60.9 -43.41 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.75 142.82 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.41 -21.46 28.69 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.65 51.51 0.75 Allowed Glycine 0 N--CA 1.465 0.594 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.58 19.5 5.6 Favored Glycine 0 N--CA 1.465 0.567 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -105.07 166.37 14.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.6 -159.83 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -81.13 -44.08 18.45 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -138.97 87.58 2.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.924 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 91' ' ' SER . 46.4 t80 -154.33 168.32 27.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 6.9 m -176.36 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.401 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -97.46 31.03 2.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 4' ' ' ASP . 78.8 mtp -79.04 139.26 38.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.048 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 3' ' ' MET . 97.4 m-20 -19.23 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 0.0 111.242 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.451 ' OG1' ' OE1' ' A' ' 8' ' ' GLU . 7.5 p -105.92 131.6 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.171 0.51 . . . . 0.0 110.758 178.188 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 45.6 p-10 -70.67 -33.6 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -39.2 -54.2 1.81 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.94 0.4 . . . . 0.0 110.601 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.451 ' OE1' ' OG1' ' A' ' 5' ' ' THR . 34.9 mp0 -53.65 -39.7 65.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.365 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ASP . 37.4 tp10 -64.92 -42.91 94.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.151 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.415 ' O ' HG21 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 HG21 ' O ' ' A' ' 14' ' ' ALA . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 HD11 HG23 ' A' ' 26' ' ' ILE . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 29' ' ' SER . 26.2 m-70 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.696 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 87.5 mm-40 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.696 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.48 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.493 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 6.5 t-20 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.493 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 77' ' ' GLY . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.05 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -76.65 82.83 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.149 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.01 23.27 0.7 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 75.62 170.86 29.32 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.24 -0.68 60.26 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.35 151.54 17.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.64 -155.51 2.83 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.4 ' O ' ' N ' ' A' ' 88' ' ' ARG . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.4 ' N ' ' O ' ' A' ' 84' ' ' SER . 8.0 mmt180 -64.64 -54.14 36.57 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 90' ' ' PHE . 64.0 mttp -57.99 -95.73 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' C ' ' O ' ' A' ' 89' ' ' LYS . 9.7 m-85 10.6 -106.7 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.994 0.809 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -148.2 138.69 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.466 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.492 179.638 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.0 mmm -82.75 -158.48 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.412 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ASP . 39.5 p-10 -67.54 115.43 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -41.21 91.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 4' ' ' ASP . 98.4 m-20 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -58.91 4.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.524 ' N ' ' OE1' ' A' ' 8' ' ' GLU . 8.8 mp0 -53.82 -48.04 70.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.56 -44.28 96.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.484 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.495 HD21 ' N ' ' A' ' 24' ' ' GLY . 0.1 OUTLIER -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' N ' HD21 ' A' ' 23' ' ' ASN . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 52.5 m170 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 35' ' ' MET . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.49 ' H ' ' HG1' ' A' ' 43' ' ' THR . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 3.8 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.64 ' SD ' ' NE1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.596 ' SD ' ' NH1' ' A' ' 87' ' ' ARG . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.551 ' C ' ' H ' ' A' ' 75' ' ' ARG . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 1.6 p -47.44 -11.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.551 ' H ' ' C ' ' A' ' 73' ' ' THR . 23.1 mmt180 -107.13 150.8 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.89 57.85 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.5 55.32 0.8 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.52 13.18 4.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.48 152.53 20.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 -156.98 11.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -63.64 -52.94 58.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' SER . 68.6 mttm -67.44 -101.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.005 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 89' ' ' LYS . 2.0 m-85 28.66 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.23 0.538 . . . . 0.0 110.804 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' LYS . 10.2 t -50.83 -50.36 56.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.279 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.64 179.638 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 2' ' ' HIS . 24.1 p80 -83.12 130.53 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -63.49 -43.57 96.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 60.37 74.98 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -56.66 97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.653 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -56.76 -42.64 79.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.099 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' CB ' HH22 ' A' ' 75' ' ' ARG . . . -49.45 -59.36 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.435 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -58.11 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 -49.07 -50.22 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 29' ' ' SER . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.556 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.401 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' OE1' ' N ' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' O ' ' N ' ' A' ' 55' ' ' ASP . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.436 ' O ' ' O ' ' A' ' 52' ' ' LYS . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.435 ' CE2' ' CG2' ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.435 ' CG2' ' CE2' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.471 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 70' ' ' MET . 4.8 t -59.13 -43.56 89.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.474 HH22 ' CB ' ' A' ' 7' ' ' ALA . 94.1 mtt180 -61.17 148.19 41.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.914 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.65 -19.59 19.24 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 49.75 0.82 Allowed Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.24 70.96 0.51 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.17 167.47 36.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.68 -158.35 0.47 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -55.04 -69.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.556 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 50.2 mtmt -56.5 -93.0 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.042 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 4.4 m-85 28.93 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 110.804 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' LYS . 17.8 m 49.35 -96.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.477 -179.692 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.09 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.4 ' HG3' ' H ' ' A' ' 4' ' ' ASP . 9.4 tpp -60.58 170.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' H ' ' HG3' ' A' ' 3' ' ' MET . 68.3 t0 -53.7 -48.96 69.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.6 m -124.8 136.43 53.82 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.418 . . . . 0.0 110.203 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 39.3 p-10 -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.483 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.89 -56.32 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.075 0.464 . . . . 0.0 110.62 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.49 -41.99 73.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.272 0.558 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.58 -45.84 92.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.522 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.522 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.402 HG21 HD11 ' A' ' 26' ' ' ILE . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.465 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' GLY . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 36' ' ' ILE . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.465 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.668 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 96.0 mm-40 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.668 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 41.7 t -60.13 -45.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -91.82 116.7 29.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.16 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 37.42 8.95 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.73 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.7 140.36 3.43 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.06 -6.81 9.78 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.29 -160.51 20.69 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -40.17 -48.16 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -128.23 88.94 2.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.607 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 57.7 t80 -167.97 62.76 0.07 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.616 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -141.48 159.1 42.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.582 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 29.9 p-80 41.03 -165.45 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.785 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt 52.02 13.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.384 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.44 ' H ' ' C ' ' A' ' 2' ' ' HIS . 20.4 t0 -152.82 -22.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 p -59.58 100.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.98 -44.26 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.61 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.67 -53.51 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.437 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.41 -46.65 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.482 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.482 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 29' ' ' SER . 25.0 m-70 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 73' ' ' THR . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 75' ' ' ARG . 13.9 p -62.53 -46.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' CG1' ' A' ' 74' ' ' VAL . 79.4 ttt-85 -67.98 83.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.039 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 35.57 0.5 Allowed Glycine 0 N--CA 1.467 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 91.95 158.72 34.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 88.02 -132.12 11.03 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.95 -75.09 0.01 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 140.45 -176.64 21.28 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.414 ' NH1' HH12 ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 HH12 ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 -61.83 -59.61 4.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 90' ' ' PHE . 61.1 mttp -52.54 -92.65 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.9 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' C ' ' O ' ' A' ' 89' ' ' LYS . 17.2 m-85 0.59 -105.16 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.587 1.179 . . . . 0.0 110.827 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m 45.82 -143.28 0.26 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.528 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.657 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.0 t-80 -166.82 65.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.716 0.293 . . . . 0.0 110.651 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.447 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 63.5 mtt -65.41 -41.61 93.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ASP . 71.6 m-20 -154.2 161.07 42.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -48.34 91.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' ASP . 32.3 t70 -56.73 -47.74 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.05 -58.4 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.74 -44.8 48.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.88 -38.73 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.55 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.414 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.414 ' OE1' ' CG2' ' A' ' 43' ' ' THR . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.635 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.673 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 1.6 t-20 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.673 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.416 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 70' ' ' MET . 25.3 t -61.95 -16.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' VAL . 62.0 ttm-85 -38.63 117.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.99 -66.41 3.6 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.32 62.42 0.06 OUTLIER Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -116.93 40.21 2.44 Favored Glycine 0 N--CA 1.465 0.595 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.99 179.28 20.68 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.31 -161.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -74.81 -47.18 32.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.55 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 53.5 mtpt -78.06 10.03 3.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.3 m-85 -101.27 39.09 1.46 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 90' ' ' PHE . 12.7 t 58.26 146.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.076 0.465 . . . . 0.0 110.622 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.51 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' A' ' 3' ' ' MET . 63.9 m80 -86.2 172.97 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.561 0.219 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.45 ' O ' ' O ' ' A' ' 2' ' ' HIS . 79.5 mtp 55.88 159.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -140.69 -105.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -71.01 89.78 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.042 0.449 . . . . 0.0 110.804 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 64.7 t0 -61.32 -35.64 77.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.87 -55.92 19.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -51.88 -43.87 63.5 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.45 -40.78 92.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 26.1 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.504 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.41 HG22 HD11 ' A' ' 26' ' ' ILE . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 29' ' ' SER . 41.6 m-70 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.604 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 5.1 pt20 -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG21 HD11 ' A' ' 51' ' ' ILE . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.433 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' NE2' ' CD1' ' A' ' 25' ' ' TYR . 14.3 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.414 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.463 ' O ' ' N ' ' A' ' 76' ' ' GLY . 40.4 t -57.77 -9.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' VAL . 20.2 ptt180 -34.47 95.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.232 0.539 . . . . 0.0 110.563 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 78.99 -66.99 3.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.73 -161.77 9.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.46 175.22 30.12 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.51 -45.83 2.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.72 -177.75 21.58 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' C ' ' HZ3' ' A' ' 89' ' ' LYS . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.405 ' C ' ' H ' ' A' ' 90' ' ' PHE . 40.6 ttm180 -86.52 -39.92 15.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HZ3' ' C ' ' A' ' 85' ' ' ARG . 33.4 mtmm -66.66 -0.79 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.022 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' SER . 20.5 m-85 -105.45 -102.54 0.33 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 91' ' ' SER . 13.0 t 38.26 31.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' PHE . 80.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.638 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.442 ' CG ' ' O ' ' A' ' 2' ' ' HIS . 44.5 p-80 -154.34 102.69 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 40.67 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -149.82 153.1 36.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.379 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 m -100.94 130.77 46.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.53 -39.7 94.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -40.89 -55.97 2.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.68 -47.96 72.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.461 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.15 -42.86 95.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' CD1' ' N ' ' A' ' 25' ' ' TYR . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.452 HD13 ' HZ1' ' A' ' 89' ' ' LYS . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.444 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' CD1' ' HZ1' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.424 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.677 ' N ' HD21 ' A' ' 63' ' ' ASN . 0.7 OUTLIER -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.574 ' HZ1' ' CD1' ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.595 ' SD ' ' CD1' ' A' ' 83' ' ' TRP . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 12.8 t -55.6 -46.36 79.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.89 150.04 25.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.183 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.65 3.76 90.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.0 61.09 0.07 OUTLIER Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.16 159.34 40.72 Favored Glycine 0 C--O 1.227 -0.331 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.01 87.19 0.17 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.94 3.84 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' HZ1' HD13 ' A' ' 38' ' ' LEU . 15.8 pttp -75.8 -8.22 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 1.5 m-85 -76.33 -87.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.356 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -141.94 44.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.4 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.556 179.832 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -77.69 145.84 36.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt 47.35 66.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 9' ' ' GLU . 60.9 t0 -147.88 126.04 12.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -90.82 133.8 34.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 6' ' ' ASP . 63.1 t0 -57.57 -39.67 77.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.83 -57.76 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.389 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -52.32 -48.7 65.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.405 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 4' ' ' ASP . 97.7 mt-10 -57.14 -44.06 83.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.494 ' OE2' ' N ' ' A' ' 20' ' ' LYS . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' CD1' ' SD ' ' A' ' 35' ' ' MET . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.516 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' NE2' ' HZ3' ' A' ' 52' ' ' LYS . 74.6 mm-40 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.556 ' HZ3' ' NE2' ' A' ' 49' ' ' GLN . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.449 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 2.7 t-20 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.709 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.45 ' O ' ' CG1' ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' CG1' ' O ' ' A' ' 71' ' ' MET . 15.0 p -61.26 -44.27 98.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.429 ' N ' ' CG1' ' A' ' 74' ' ' VAL . 13.0 ptm180 -93.2 121.07 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.6 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.2 34.94 89.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.42 -49.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.39 -97.47 0.16 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.86 153.47 21.8 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . -79.9 -158.26 15.6 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -53.43 -34.73 58.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -55.95 -32.19 63.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.117 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.53 -75.98 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.508 ' HG ' ' H ' ' A' ' 92' ' ' SER . 87.5 p 44.07 -131.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.714 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.508 ' H ' ' HG ' ' A' ' 91' ' ' SER . 9.2 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 2' ' ' HIS . 4.6 m80 -93.53 133.07 37.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ASP . 11.8 ptt? -174.24 60.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' MET . 99.7 m-20 50.36 179.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -105.62 129.44 53.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.321 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -61.8 -34.23 75.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.88 -55.82 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.508 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -49.95 -37.85 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.69 -38.49 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.549 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.695 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.695 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.441 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.411 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.497 ' H ' ' HG1' ' A' ' 43' ' ' THR . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.555 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.556 ' CD ' ' N ' ' A' ' 49' ' ' GLN . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 36.8 t -56.77 -46.4 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -89.14 98.25 11.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.96 -16.24 36.38 Favored Glycine 0 N--CA 1.463 0.46 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . -139.2 27.93 2.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -36.24 127.56 0.94 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 80' ' ' GLY . . . -138.55 -107.56 0.78 Allowed Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 79' ' ' GLY . . . -27.39 150.43 0.0 OUTLIER Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.38 -45.55 17.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 38' ' ' LEU . 28.4 ttpt -80.72 4.06 20.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 91' ' ' SER . 0.2 OUTLIER -87.15 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.221 0.534 . . . . 0.0 110.435 179.779 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 90' ' ' PHE . 5.2 p 57.32 154.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.633 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -101.85 100.72 11.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.438 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -63.61 -60.4 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.431 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.5 t0 57.15 57.61 4.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.8 m -81.94 137.68 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 110.628 179.927 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -65.46 -35.28 80.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.533 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -42.44 -55.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -53.29 -42.45 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.13 -41.93 80.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.475 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.41 ' H ' HD12 ' A' ' 56' ' ' LEU . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.448 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.651 ' N ' HD21 ' A' ' 63' ' ' ASN . 1.0 OUTLIER -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.475 ' OE1' ' N ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.441 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.414 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.418 HG11 ' O ' ' A' ' 70' ' ' MET . 2.5 m -53.32 -26.19 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 92' ' ' SER . 95.4 mtt180 -93.38 142.22 27.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.77 -11.31 62.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.28 63.15 0.64 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.43 -160.77 14.15 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.5 -49.45 2.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.38 -165.9 23.53 Favored Glycine 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -62.34 -55.21 30.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.23 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.856 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' N ' ' A' ' 90' ' ' PHE . 4.3 p90 -83.91 103.35 13.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -94.45 -156.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.07 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.524 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 76.7 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.48 -12.74 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.596 ' O ' ' C ' ' A' ' 4' ' ' ASP . 1.3 mpt? -81.9 97.89 8.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.173 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.596 ' C ' ' O ' ' A' ' 3' ' ' MET . 52.9 p-10 11.79 79.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.664 0.603 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' GLY . 10.8 m -75.47 142.43 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.276 -178.607 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.11 -42.17 76.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.45 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.348 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.71 -45.78 49.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -41.4 97.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.33 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' CG2' ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.426 ' OD1' ' O ' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.447 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.23 -45.92 95.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -95.65 120.2 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.12 35.01 16.12 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . 153.82 31.11 0.03 OUTLIER Glycine 0 C--N 1.329 0.185 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -31.43 127.6 0.21 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.32 56.41 0.44 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.199 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.96 128.77 1.37 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -86.14 -45.36 11.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.38 -8.35 54.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.0 m-85 -84.8 -99.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p 46.59 73.75 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.3 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.609 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.5 -39.13 91.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.1 mmm 46.86 85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.657 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -165.45 24.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 p -73.44 90.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.02 -34.52 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.46 -56.49 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -51.47 -38.82 55.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.499 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.99 -41.21 82.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.406 ' N ' HG23 ' A' ' 17' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' ND1' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG22 HD11 ' A' ' 51' ' ' ILE . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 63' ' ' ASN . 0.5 OUTLIER -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.426 ' HG3' ' H ' ' A' ' 66' ' ' GLU . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.45 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 75' ' ' ARG . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.521 ' C ' ' H ' ' A' ' 76' ' ' GLY . 35.3 m -32.06 -31.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 73' ' ' THR . 34.5 ttm180 -51.46 -9.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.155 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.521 ' H ' ' C ' ' A' ' 74' ' ' VAL . . . 136.13 -3.47 3.72 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -81.67 -92.42 0.54 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.804 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.402 ' H ' ' HB ' ' A' ' 73' ' ' THR . . . -69.84 -137.41 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.37 175.01 31.19 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . 164.04 118.78 0.46 Allowed Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' PHE . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -45.61 -40.29 8.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.54 -21.53 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.053 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.6 m-85 -82.61 -97.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.49 ' O ' ' NH1' ' A' ' 87' ' ' ARG . 40.0 t -164.38 145.96 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 -179.415 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 6.4 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.569 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 1' ' ' GLY . 8.3 m80 69.05 -21.58 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.722 0.296 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.586 ' H ' ' C ' ' A' ' 1' ' ' GLY . 61.0 mtt -64.06 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -150.57 156.7 41.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -73.72 80.92 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.742 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.0 -41.69 83.61 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.16 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.35 8.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.9 -47.34 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.412 . . . . 0.0 110.345 -179.646 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -64.65 -39.79 94.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 179.784 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.456 ' N ' ' CD1' ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . 0.782 HD21 ' H ' ' A' ' 65' ' ' GLU . 2.4 t30 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.782 ' H ' HD21 ' A' ' 63' ' ' ASN . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' HZ2' ' CB ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.444 ' O ' ' CG2' ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.511 ' C ' ' H ' ' A' ' 75' ' ' ARG . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.488 ' O ' ' N ' ' A' ' 76' ' ' GLY . 17.1 t -55.33 -7.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.511 ' H ' ' C ' ' A' ' 73' ' ' THR . 13.2 ptt180 -35.55 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.405 0.622 . . . . 0.0 109.796 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 74.16 -68.48 1.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -178.025 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.69 -140.67 4.22 Favored Glycine 0 C--N 1.342 0.877 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.6 5.81 31.4 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.36 89.6 1.4 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.42 82.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -86.68 -39.95 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -70.64 -2.88 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.762 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -101.54 42.16 1.15 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.305 0.574 . . . . 0.0 110.257 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.4 p -52.63 -40.77 63.11 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.497 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.539 179.802 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.42 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 71.05 -47.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.42 ' H ' ' C ' ' A' ' 1' ' ' GLY . 84.6 mtp -64.95 -39.74 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.979 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -171.43 162.43 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 60.7 p -72.95 87.83 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -59.38 -40.28 86.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.09 -58.13 3.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.97 -44.84 51.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 -68.47 -37.37 80.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.531 ' HZ3' HE21 ' A' ' 22' ' ' GLN . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.531 HE21 ' HZ3' ' A' ' 16' ' ' LYS . 32.4 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.43 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.43 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.403 ' CD2' ' O ' ' A' ' 29' ' ' SER . 9.3 m-70 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' N ' ' OD1' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.489 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.432 ' CG2' ' O ' ' A' ' 70' ' ' MET . 20.7 t -58.61 -45.32 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -86.93 100.1 12.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.32 -61.31 0.58 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.04 48.82 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.55 35.61 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.93 144.83 15.51 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.16 116.05 0.62 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -56.57 -65.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' SER . 25.5 mtpp -58.15 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.015 179.349 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 89' ' ' LYS . 4.2 m-85 28.6 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.565 0.54 . . . . 0.0 110.823 -179.689 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 89' ' ' LYS . 19.4 m -146.67 29.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.268 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.522 179.945 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 76.3 m80 -156.49 -83.02 0.06 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' THR . 76.5 mtm -62.12 -43.16 99.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 3' ' ' MET . 62.5 t0 17.2 -82.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.433 1.083 . . . . 0.0 111.063 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' MET . 3.7 m -31.07 121.55 0.22 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.858 0.724 . . . . 0.0 109.953 179.139 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.69 -43.91 69.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.222 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.37 -60.26 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 179.659 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -58.09 -62.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -45.47 -52.59 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.356 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.405 ' CD1' ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.7 t -60.49 -44.15 95.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -83.84 95.01 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.63 -13.1 50.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 73' ' ' THR . . . -135.12 24.57 3.41 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -35.09 123.66 0.57 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . -146.42 -104.92 0.42 Allowed Glycine 0 CA--C 1.509 -0.281 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -19.64 136.04 0.01 OUTLIER Glycine 0 C--N 1.35 1.345 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.565 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.565 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 -39.5 -45.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -132.0 87.7 2.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.643 179.264 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.7 t80 -93.83 164.35 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.683 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 92' ' ' SER . 94.3 p -23.78 -82.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.997 0.811 . . . . 0.0 111.009 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.514 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.5 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.606 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' MET . 80.6 m80 52.56 -165.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' HIS . 77.3 mtm 51.27 103.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.584 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 6' ' ' ASP . 36.7 m-20 -91.81 -42.62 9.99 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 7' ' ' ALA . 35.2 p -28.47 -34.81 0.01 OUTLIER 'General case' 0 C--N 1.344 0.362 0 O-C-N 123.79 0.681 . . . . 0.0 110.529 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.3 m-20 -46.44 -16.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 178.779 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' H ' ' C ' ' A' ' 5' ' ' THR . . . -86.25 -42.54 13.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.118 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.56 -52.56 59.32 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 5' ' ' THR . 22.6 mp0 -67.14 -41.94 85.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.53 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' CD2' ' C ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.626 ' H ' ' CD2' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.433 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.1 t -57.21 -45.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.98 103.2 15.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.062 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.76 22.7 4.94 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.17 -63.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.83 166.26 37.02 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . 175.89 -114.57 0.49 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.856 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -26.76 145.65 0.01 OUTLIER Glycine 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 -38.67 -32.5 0.08 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -128.67 86.4 2.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.395 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -159.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.92 0.391 . . . . 0.0 110.679 179.048 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.9 m -135.55 64.62 1.57 Allowed 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.441 179.809 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.498 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 50.39 11.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.494 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' MET . . . . . 0.498 ' H ' ' C ' ' A' ' 1' ' ' GLY . 52.6 ttm -73.58 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 4' ' ' ASP . 65.3 t0 -174.84 42.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -80.44 90.77 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 35.6 p30 -62.65 -24.67 67.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.15 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.66 -55.93 24.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.87 -46.94 68.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -42.25 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.712 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.603 ' N ' HD21 ' A' ' 23' ' ' ASN . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.712 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.474 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 54' ' ' ALA . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.467 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.475 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 54.5 t -66.94 -19.06 25.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -58.3 -10.64 2.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 110.433 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.78 3.44 2.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 -7.26 86.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.84 -109.3 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 156.68 6.33 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.98 -153.14 23.65 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.405 ' CD2' ' CE2' ' A' ' 90' ' ' PHE . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -73.19 -46.82 48.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -140.2 95.82 2.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.631 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.405 ' CE2' ' CD2' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -126.64 -147.47 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.116 0.484 . . . . 0.0 110.24 178.358 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -116.23 92.89 4.02 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.239 179.854 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 42.5 p-80 -85.63 125.28 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm 44.88 60.24 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -162.25 5.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -66.92 96.94 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.76 -37.48 79.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.96 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.466 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -54.54 -48.82 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.422 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.48 -41.97 92.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.523 ' CG1' ' H ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.523 ' H ' ' CG1' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 70' ' ' MET . . . . . 0.495 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 51.8 t -61.06 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.06 115.43 28.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.75 -60.38 0.34 Allowed Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 -53.11 2.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.6 112.53 0.07 OUTLIER Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.5 54.45 0.42 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.92 126.97 1.19 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.99 -38.46 13.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.17 -7.89 45.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.597 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.4 -93.41 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m 50.22 72.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.584 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 34' ' ' VAL . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 38.1 p-10 -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 33' ' ' HIS . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' HG21 ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.447 HG21 ' CE2' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.627 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 89.8 t . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.627 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.878 0.37 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' HG11 ' A' ' 34' ' ' VAL . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CE1' ' A' ' 18' ' ' PHE . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.636 HG13 ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.636 ' N ' HG13 ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' VAL . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' MET . 35.6 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 17' ' ' VAL . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 13' ' ' GLU . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' C ' HD12 ' A' ' 56' ' ' LEU . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 68' ' ' VAL . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 23' ' ' ASN . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 2.3 m-70 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.493 ' SD ' HD22 ' A' ' 42' ' ' LEU . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 38' ' ' LEU . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' C ' HD12 ' A' ' 42' ' ' LEU . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 28' ' ' ALA . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.645 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.699 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' GLU . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 18.5 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.566 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 71' ' ' MET . 10.7 p . . . . . 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 . . . . . 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.616 0.246 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 71' ' ' MET . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' C ' HD22 ' A' ' 56' ' ' LEU . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 11' ' ' LEU . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 43.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 87' ' ' ARG . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.779 0.323 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 71' ' ' MET . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 31' ' ' LEU . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' HB1' ' A' ' 28' ' ' ALA . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.64 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 11' ' ' LEU . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 70' ' ' MET . 41.9 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.673 0.273 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.601 ' NZ ' HG22 ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG22 ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 70' ' ' MET . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 20.3 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 70' ' ' MET . 9.9 p . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 . . . . . 0 C--O 1.228 -0.041 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 68' ' ' VAL . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 34' ' ' VAL . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 30' ' ' GLU . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD22 HH11 ' A' ' 85' ' ' ARG . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 28' ' ' ALA . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 68' ' ' VAL . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 11' ' ' LEU . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.482 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 70' ' ' MET . 38.8 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.633 HH11 HD22 ' A' ' 42' ' ' LEU . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.84 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.812 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 70' ' ' MET . 21.8 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD21 ' SD ' ' A' ' 71' ' ' MET . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' A' ' 42' ' ' LEU . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' SD ' ' A' ' 35' ' ' MET . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 44' ' ' ASP . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' H ' HG22 ' A' ' 43' ' ' THR . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.81 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.431 ' SD ' HD21 ' A' ' 11' ' ' LEU . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' MET . 24.0 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.422 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 22.5 mm100 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.512 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' HD12 ' A' ' 56' ' ' LEU . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.556 HD12 ' N ' ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.402 ' CZ ' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 74' ' ' VAL . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 70' ' ' MET . 38.5 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 . . . . . 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.494 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.434 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 14.5 p30 -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 2.5 m-70 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 56' ' ' LEU . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 55' ' ' ASP . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 29.1 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 68' ' ' VAL . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 64' ' ' TYR . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.614 ' O ' HG12 ' A' ' 74' ' ' VAL . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' MET . 1.6 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.951 0.405 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 42' ' ' LEU . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 33' ' ' HIS . 42.5 m-80 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' HB1' ' A' ' 28' ' ' ALA . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 56' ' ' LEU . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.805 ' O ' HG23 ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 70' ' ' MET . 4.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.578 0.227 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.471 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 42' ' ' LEU . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 36' ' ' ILE . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 41' ' ' LYS . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' SD ' ' A' ' 35' ' ' MET . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.617 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 29.7 mm100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.617 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' MET . 41.7 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.526 0.041 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 34' ' ' VAL . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 30' ' ' GLU . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' ' 36' ' ' ILE . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 56' ' ' LEU . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 74' ' ' VAL . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' LYS . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' MET . 13.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' NH1' HH12 ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH12 ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 CA--C 1.525 -0.01 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 34' ' ' VAL . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 18' ' ' PHE . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' C ' HD12 ' A' ' 42' ' ' LEU . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HB1' ' A' ' 28' ' ' ALA . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.896 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 55.8 t30 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' A' ' 63' ' ' ASN . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' MET . 25.3 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 17' ' ' VAL . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 13' ' ' GLU . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.0 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.453 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' HB1' ' A' ' 28' ' ' ALA . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 56' ' ' LEU . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HZ3' ' A' ' 69' ' ' LYS . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.464 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 3.8 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 68' ' ' VAL . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 64' ' ' TYR . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HZ3' HD23 ' A' ' 56' ' ' LEU . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 40.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 71' ' ' MET . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CE1' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 18' ' ' PHE . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.489 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD12 ' HZ2' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HZ2' HD12 ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 11' ' ' LEU . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' MET . 12.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 13' ' ' GLU . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE1' HG11 ' A' ' 34' ' ' VAL . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 18' ' ' PHE . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.582 HD21 ' CD ' ' A' ' 65' ' ' GLU . 35.9 t30 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.582 ' CD ' HD21 ' A' ' 63' ' ' ASN . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.62 ' O ' HG12 ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 71' ' ' MET . 15.0 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 17' ' ' VAL . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.476 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 48.5 p-10 -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 24' ' ' GLY . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 42' ' ' LEU . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' LEU . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.702 ' O ' HG23 ' A' ' 74' ' ' VAL . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 70' ' ' MET . 36.8 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.698 0.285 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 36' ' ' ILE . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.638 ' N ' HD12 ' A' ' 56' ' ' LEU . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.464 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.588 ' O ' HG13 ' A' ' 74' ' ' VAL . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 71' ' ' MET . 2.5 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.228 -0.074 0 CA-C-O 120.728 0.299 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.602 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' LEU . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' H ' ' CG ' ' A' ' 59' ' ' ASP . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 1.2 m-20 -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' VAL . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' THR . 35.3 m . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.76 0.314 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 34' ' ' VAL . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.643 ' HE1' HD21 ' A' ' 63' ' ' ASN . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 18' ' ' PHE . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' ASN . . . . . 0.643 HD21 ' HE1' ' A' ' 25' ' ' TYR . 21.1 t-20 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.783 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 70' ' ' MET . 17.1 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 120.624 0.249 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 14' ' ' ALA . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 42' ' ' LEU . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' ASP . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' THR . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 70' ' ' MET . 20.7 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.813 0.34 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 68' ' ' VAL . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 40' ' ' GLU . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 38' ' ' LEU . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 36' ' ' ILE . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 11' ' ' LEU . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' A' ' 56' ' ' LEU . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 87' ' ' ARG . 50.7 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.449 ' HG3' HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.576 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 18' ' ' PHE . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 33' ' ' HIS . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.88 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.426 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 74' ' ' VAL . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 70' ' ' MET . 32.1 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.591 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.591 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 36.2 p-10 -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG11 ' HB1' ' A' ' 28' ' ' ALA . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 64' ' ' TYR . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 74' ' ' VAL . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 CA--C 1.525 0.011 0 CA-C-O 120.788 0.328 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.588 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.42 ' SD ' HD12 ' A' ' 42' ' ' LEU . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' SD ' ' A' ' 35' ' ' MET . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 54' ' ' ALA . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' VAL . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.703 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 70' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 70' ' ' MET . 51.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 34.8 p80 40.38 25.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 1' ' ' GLY . 77.8 mtm -65.01 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.592 ' C ' HG23 ' A' ' 5' ' ' THR . 3.6 m-20 65.51 -145.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.274 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.592 HG23 ' C ' ' A' ' 4' ' ' ASP . 3.9 p 77.9 -29.14 0.16 Allowed 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.646 0.591 . . . . 0.0 110.978 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 4' ' ' ASP . 66.5 m-20 -46.22 -17.78 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.068 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' N ' ' C ' ' A' ' 5' ' ' THR . . . -83.69 -42.78 16.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.033 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.77 -54.76 37.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.593 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -43.29 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 34' ' ' VAL . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.759 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.759 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 33' ' ' HIS . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' OE2' ' CD ' ' A' ' 89' ' ' LYS . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' HG21 ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.447 HG21 ' CE2' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.627 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ARG . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 89.8 t -41.46 -23.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' THR . 61.7 ttt85 -90.71 83.79 5.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.035 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.3 -38.42 3.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -81.27 -45.78 7.3 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.76 149.09 25.19 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.51 -142.07 4.32 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -160.11 6.42 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.627 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -88.81 -43.64 11.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' CD ' ' OE2' ' A' ' 40' ' ' GLU . 63.3 tttm -72.63 -8.83 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.367 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -80.77 -96.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.684 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -73.14 -73.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.494 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.521 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -99.51 108.67 21.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.282 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.3 mtp -132.1 130.51 41.3 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.483 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 5' ' ' THR . 45.1 t0 -163.81 -127.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.626 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.403 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 43.3 p -62.04 86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 34.9 p-10 -61.48 -33.85 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.29 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -55.87 -56.62 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.451 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -49.83 -39.18 37.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.36 -39.83 85.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' HG11 ' A' ' 34' ' ' VAL . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CE1' ' A' ' 18' ' ' PHE . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' CD ' ' NZ ' ' A' ' 89' ' ' LYS . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.475 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.636 HG13 ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.636 ' N ' HG13 ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' VAL . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 78' ' ' GLY . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' MET . 35.6 t -59.87 -44.86 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -59.04 140.61 55.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.57 -30.47 8.29 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . 136.56 -31.21 2.61 Favored Glycine 0 N--CA 1.463 0.48 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' THR . . . -56.23 72.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 77' ' ' GLY . . . -158.46 152.01 23.11 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.31 -156.91 16.52 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -74.93 -48.72 23.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 19.2 ptmt -82.41 6.07 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.22 42.98 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.601 . . . . 0.0 110.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 92' ' ' SER . 62.2 m -144.52 148.95 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 91' ' ' SER . 6.7 p . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 53.6 p-80 -74.46 72.2 1.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.88 97.03 4.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 42.57 30.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.4 p -78.49 92.15 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -62.7 -36.94 84.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.066 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -56.41 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.395 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -52.05 -43.45 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.37 -41.49 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.399 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 17' ' ' VAL . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 13' ' ' GLU . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.1 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' C ' HD12 ' A' ' 56' ' ' LEU . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.03 -46.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -90.95 155.37 18.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.75 34.16 43.83 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.14 -71.32 0.09 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.19 133.77 7.7 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.83 101.47 0.17 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.59 134.59 5.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -79.54 -44.99 20.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -77.72 0.85 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.45 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -94.36 45.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' PHE . 7.5 t 61.63 139.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.597 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -81.17 -12.35 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.736 0.303 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -63.1 -39.52 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.421 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -50.15 -89.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.652 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 p -92.57 71.61 5.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 38.7 p-10 -62.73 -34.34 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.33 -55.91 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 8.2 mp0 -51.31 -38.2 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.23 -39.42 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 68' ' ' VAL . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 196' ' ' ' CA' . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 2.3 m-70 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.493 ' SD ' HD22 ' A' ' 42' ' ' LEU . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 38' ' ' LEU . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' C ' HD12 ' A' ' 42' ' ' LEU . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 28' ' ' ALA . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.645 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.699 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t -65.14 -10.52 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -46.93 -19.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 74' ' ' VAL . . . 136.62 16.32 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.83 3.77 52.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 160.22 -77.95 0.17 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 74' ' ' VAL . . . 60.93 -73.55 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 128.08 -173.23 18.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -75.96 -46.44 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -139.86 93.75 2.69 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.46 -175.15 2.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 0.0 110.397 179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.411 ' H ' ' HD1' ' A' ' 90' ' ' PHE . 51.0 m -139.85 152.38 46.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 91' ' ' SER . 23.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 19' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.441 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 17.9 p-80 -88.87 104.8 17.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.761 0.315 . . . . 0.0 110.421 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.61 103.9 16.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.139 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -98.46 104.46 16.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -136.38 148.39 47.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 37.0 p30 -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.391 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -46.96 -55.62 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -51.06 -41.76 60.11 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.134 0.492 . . . . 0.0 110.674 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.59 -39.74 95.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.216 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' GLU . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 18.5 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 91' ' ' SER . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.566 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 75' ' ' ARG . 10.7 p -61.17 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.628 ' N ' HG13 ' A' ' 74' ' ' VAL . 29.7 ptt180 -91.81 125.68 36.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.088 0.47 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.76 31.61 80.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.61 -45.94 0.02 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.29 -103.04 0.23 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.61 162.01 37.39 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.68 -162.38 14.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -72.49 -49.51 32.55 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -138.64 90.02 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.425 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 91' ' ' SER . 28.1 t80 -79.77 163.4 24.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.6 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 6.2 t -15.55 -77.59 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.142 0.901 . . . . 0.0 111.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.164 178.717 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 52.85 77.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.0 mtp -86.94 132.8 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 5' ' ' THR . 50.4 t0 -155.91 156.97 35.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.419 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 35.3 p -91.55 96.85 10.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.18 -29.56 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.94 -55.6 30.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -52.71 48.01 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.55 -39.85 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 71' ' ' MET . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' C ' HD22 ' A' ' 56' ' ' LEU . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 11' ' ' LEU . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 43.7 t -59.53 -46.31 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -91.28 119.34 31.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -63.54 0.3 Allowed Glycine 0 N--CA 1.463 0.487 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.33 -57.41 0.95 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.66 150.9 22.44 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.43 90.44 0.08 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.89 117.94 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 87' ' ' ARG . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -51.75 -35.72 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.97 -38.57 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.79 -82.7 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 m -157.32 143.7 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.535 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -66.47 -40.81 89.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.9 mtm -46.76 -84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.527 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.8 p-10 -176.89 76.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.381 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -105.28 113.51 27.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.121 0.486 . . . . 0.0 110.578 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' GLU . 90.5 m-20 -73.47 -35.76 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASP . . . -33.63 -53.01 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.548 0.53 . . . . 0.0 110.349 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.33 -50.1 68.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.33 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ASP . 41.2 tt0 -65.16 -41.16 94.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.273 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 71' ' ' MET . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 31' ' ' LEU . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' HB1' ' A' ' 28' ' ' ALA . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.64 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 m-20 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 11' ' ' LEU . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 70' ' ' MET . 41.9 t -57.6 -52.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -84.6 112.51 20.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.22 -56.81 0.48 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.09 -57.04 1.17 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.13 116.81 0.57 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.27 51.04 0.41 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.19 129.06 1.35 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.38 -45.54 22.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -78.39 1.07 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.747 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.71 41.57 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -137.05 71.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.547 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -79.33 -17.91 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.364 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.08 173.34 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.01 0.433 . . . . 0.0 110.479 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -118.16 95.68 5.0 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 110.426 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 7' ' ' ALA . 10.8 m -107.3 135.86 48.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.7 -36.39 78.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.006 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 5' ' ' THR . . . -43.84 -57.76 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.313 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -52.38 -47.35 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.309 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.601 ' NZ ' HG22 ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG22 ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 70' ' ' MET . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 20.3 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 78' ' ' GLY . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 70' ' ' MET . 9.9 p -69.58 -17.37 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' MET . 83.2 mtp180 -101.29 87.3 3.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.08 -24.8 11.7 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.03 -42.34 16.21 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 150.66 -99.28 0.19 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.6 162.38 37.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.39 -158.53 11.8 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HA ' ' HZ2' ' A' ' 89' ' ' LYS . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -84.55 -46.44 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' A' ' 86' ' ' LEU . 19.5 pttm -79.05 -6.0 55.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.217 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.9 p 49.03 -124.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.518 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -79.04 -17.82 54.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt 45.55 73.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -75.94 118.19 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -56.22 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.37 -43.52 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.261 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.21 -56.35 19.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.591 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.22 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 -57.29 -45.41 84.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 68' ' ' VAL . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 34' ' ' VAL . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 30' ' ' GLU . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD22 HH11 ' A' ' 85' ' ' ARG . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 28' ' ' ALA . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 68' ' ' VAL . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.404 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 11' ' ' LEU . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.482 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 70' ' ' MET . 38.8 t -61.32 -39.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.74 147.9 50.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.216 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -39.76 2.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.84 -30.93 0.67 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.05 -176.4 0.14 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.3 160.21 34.36 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.36 -157.1 7.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.633 HH11 HD22 ' A' ' 42' ' ' LEU . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -74.57 -45.66 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -139.61 91.64 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 54.1 t80 -161.09 -69.4 0.06 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 p -73.11 169.29 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.366 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.621 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.8 -166.92 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -45.07 -25.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -63.27 150.64 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -92.37 133.94 35.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.48 -37.47 83.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.1 -58.12 3.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.417 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -48.98 -41.69 35.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.04 -39.59 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.84 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.812 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 70' ' ' MET . 21.8 t -61.61 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -91.35 122.94 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.35 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.14 -40.28 1.91 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.22 -45.71 11.12 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 142.71 -100.47 0.25 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.7 164.55 26.12 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.97 -155.03 27.06 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.66 -47.08 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -45.85 -21.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.74 51.11 0.84 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.8 p -80.1 -6.84 58.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.741 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.528 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.47 -46.85 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.7 mmm -65.02 -42.78 94.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -172.0 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -111.24 133.81 53.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.86 -42.3 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.461 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.62 -59.11 3.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -48.79 -44.18 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.79 -39.57 93.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD21 ' SD ' ' A' ' 71' ' ' MET . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' A' ' 42' ' ' LEU . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' SD ' ' A' ' 35' ' ' MET . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 44' ' ' ASP . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' H ' HG22 ' A' ' 43' ' ' THR . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.81 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.431 ' SD ' HD21 ' A' ' 11' ' ' LEU . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' MET . 24.0 t -60.9 -43.41 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.75 142.82 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.41 -21.46 28.69 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.65 51.51 0.75 Allowed Glycine 0 N--CA 1.465 0.594 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.58 19.5 5.6 Favored Glycine 0 N--CA 1.465 0.567 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.421 ' HA3' HG22 ' A' ' 74' ' ' VAL . . . -105.07 166.37 14.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.6 -159.83 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -81.13 -44.08 18.45 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -138.97 87.58 2.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.924 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 91' ' ' SER . 46.4 t80 -154.33 168.32 27.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 6.9 m -176.36 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.401 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -97.46 31.03 2.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 4' ' ' ASP . 78.8 mtp -79.04 139.26 38.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.048 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 3' ' ' MET . 97.4 m-20 -19.23 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 0.0 111.242 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 p -105.92 131.6 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.171 0.51 . . . . 0.0 110.758 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 45.6 p-10 -70.67 -33.6 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -39.2 -54.2 1.81 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.94 0.4 . . . . 0.0 110.601 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 34.9 mp0 -53.65 -39.7 65.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.365 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ASP . 37.4 tp10 -64.92 -42.91 94.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.151 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.422 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 22.5 mm100 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.512 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' HD12 ' A' ' 56' ' ' LEU . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.402 ' CZ ' ' CG2' ' A' ' 68' ' ' VAL . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 74' ' ' VAL . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 77' ' ' GLY . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 70' ' ' MET . 38.5 t -61.05 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -76.65 82.83 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.149 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.01 23.27 0.7 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 75.62 170.86 29.32 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.24 -0.68 60.26 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.35 151.54 17.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.64 -155.51 2.83 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -64.64 -54.14 36.57 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 90' ' ' PHE . 64.0 mttp -57.99 -95.73 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' C ' ' O ' ' A' ' 89' ' ' LYS . 9.7 m-85 10.6 -106.7 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.994 0.809 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -148.2 138.69 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.466 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.492 179.638 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.0 mmm -82.75 -158.48 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.412 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ASP . 39.5 p-10 -67.54 115.43 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -41.21 91.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 4' ' ' ASP . 98.4 m-20 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -58.91 4.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 8.8 mp0 -53.82 -48.04 70.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.56 -44.28 96.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.484 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' N ' HD22 ' A' ' 23' ' ' ASN . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 2.5 m-70 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.9 m-80 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 56' ' ' LEU . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 55' ' ' ASP . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 29.1 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 68' ' ' VAL . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 64' ' ' TYR . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.614 ' O ' HG12 ' A' ' 74' ' ' VAL . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 75' ' ' ARG . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' MET . 1.6 p -47.44 -11.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 73' ' ' THR . 23.1 mmt180 -107.13 150.8 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.89 57.85 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.5 55.32 0.8 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.52 13.18 4.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.48 152.53 20.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 -156.98 11.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -63.64 -52.94 58.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' SER . 68.6 mttm -67.44 -101.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.005 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 89' ' ' LYS . 2.0 m-85 28.66 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.23 0.538 . . . . 0.0 110.804 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' LYS . 10.2 t -50.83 -50.36 56.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.279 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.64 179.638 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.456 ' O ' ' ND1' ' A' ' 2' ' ' HIS . 24.1 p80 -83.12 130.53 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -63.49 -43.57 96.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 60.37 74.98 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -56.66 97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.653 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -56.76 -42.64 79.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.099 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.495 ' CB ' HH22 ' A' ' 75' ' ' ARG . . . -49.45 -59.36 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.435 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -58.11 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 -49.07 -50.22 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.481 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 42' ' ' LEU . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 33' ' ' HIS . 42.5 m-80 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' HB1' ' A' ' 28' ' ' ALA . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 56' ' ' LEU . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.805 ' O ' HG23 ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 70' ' ' MET . 4.8 t -59.13 -43.56 89.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.495 HH22 ' CB ' ' A' ' 7' ' ' ALA . 94.1 mtt180 -61.17 148.19 41.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.914 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.65 -19.59 19.24 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 49.75 0.82 Allowed Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.24 70.96 0.51 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.17 167.47 36.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.68 -158.35 0.47 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -55.04 -69.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' SER . 50.2 mtmt -56.5 -93.0 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.042 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 4.4 m-85 28.93 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 110.804 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' LYS . 17.8 m 49.35 -96.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.477 -179.692 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.09 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.4 tpp -60.58 170.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -53.7 -48.96 69.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 7' ' ' ALA . 25.6 m -124.8 136.43 53.82 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.418 . . . . 0.0 110.203 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 39.3 p-10 -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.483 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.89 -56.32 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.075 0.464 . . . . 0.0 110.62 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.49 -41.99 73.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.272 0.558 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.58 -45.84 92.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.471 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 42' ' ' LEU . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 36' ' ' ILE . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 41' ' ' LYS . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' SD ' ' A' ' 35' ' ' MET . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.617 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 29.7 mm100 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.617 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' MET . 41.7 t -60.13 -45.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -91.82 116.7 29.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.16 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 37.42 8.95 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.73 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.7 140.36 3.43 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.06 -6.81 9.78 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.29 -160.51 20.69 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -40.17 -48.16 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -128.23 88.94 2.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.607 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 57.7 t80 -167.97 62.76 0.07 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.616 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -141.48 159.1 42.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.582 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 29.9 p-80 41.03 -165.45 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.785 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt 52.02 13.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.384 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 2' ' ' HIS . 20.4 t0 -152.82 -22.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 p -59.58 100.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.98 -44.26 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.61 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.67 -53.51 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.437 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.41 -46.65 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 34' ' ' VAL . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 30' ' ' GLU . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' ' 36' ' ' ILE . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 56' ' ' LEU . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 74' ' ' VAL . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 75' ' ' ARG . 13.9 p -62.53 -46.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.596 ' N ' HG13 ' A' ' 74' ' ' VAL . 79.4 ttt-85 -67.98 83.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.039 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 35.57 0.5 Allowed Glycine 0 N--CA 1.467 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 91.95 158.72 34.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 88.02 -132.12 11.03 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.95 -75.09 0.01 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 140.45 -176.64 21.28 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' NH1' HH12 ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH12 ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 -61.83 -59.61 4.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 90' ' ' PHE . 61.1 mttp -52.54 -92.65 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.9 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' C ' ' O ' ' A' ' 89' ' ' LYS . 17.2 m-85 0.59 -105.16 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.587 1.179 . . . . 0.0 110.827 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m 45.82 -143.28 0.26 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.528 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.657 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.0 t-80 -166.82 65.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.716 0.293 . . . . 0.0 110.651 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.447 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 63.5 mtt -65.41 -41.61 93.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ASP . 71.6 m-20 -154.2 161.07 42.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -48.34 91.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' ASP . 32.3 t70 -56.73 -47.74 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.05 -58.4 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.74 -44.8 48.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.88 -38.73 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 34' ' ' VAL . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 18' ' ' PHE . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' C ' HD12 ' A' ' 42' ' ' LEU . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HB1' ' A' ' 28' ' ' ALA . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.896 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.543 ' ND2' ' OE2' ' A' ' 65' ' ' GLU . 55.8 t30 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.543 ' OE2' ' ND2' ' A' ' 63' ' ' ASN . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' MET . 25.3 t -61.95 -16.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' VAL . 62.0 ttm-85 -38.63 117.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.99 -66.41 3.6 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.32 62.42 0.06 OUTLIER Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -116.93 40.21 2.44 Favored Glycine 0 N--CA 1.465 0.595 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.99 179.28 20.68 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.31 -161.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -74.81 -47.18 32.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 53.5 mtpt -78.06 10.03 3.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.3 m-85 -101.27 39.09 1.46 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 90' ' ' PHE . 12.7 t 58.26 146.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.076 0.465 . . . . 0.0 110.622 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.51 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' A' ' 3' ' ' MET . 63.9 m80 -86.2 172.97 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.561 0.219 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.45 ' O ' ' O ' ' A' ' 2' ' ' HIS . 79.5 mtp 55.88 159.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -140.69 -105.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -71.01 89.78 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.042 0.449 . . . . 0.0 110.804 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 64.7 t0 -61.32 -35.64 77.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.87 -55.92 19.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -51.88 -43.87 63.5 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.45 -40.78 92.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 17' ' ' VAL . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 13' ' ' GLU . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 94.0 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 22.1 m170 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.453 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' HB1' ' A' ' 28' ' ' ALA . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 46' ' ' GLU . 0.5 OUTLIER -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 56' ' ' LEU . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HZ3' ' A' ' 69' ' ' LYS . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 68' ' ' VAL . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 64' ' ' TYR . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HZ3' HD23 ' A' ' 56' ' ' LEU . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 40.4 t -57.77 -9.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' VAL . 20.2 ptt180 -34.47 95.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.232 0.539 . . . . 0.0 110.563 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 78.99 -66.99 3.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.73 -161.77 9.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.46 175.22 30.12 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.51 -45.83 2.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.72 -177.75 21.58 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -86.52 -39.92 15.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.66 -0.79 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' SER . 20.5 m-85 -105.45 -102.54 0.33 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 91' ' ' SER . 13.0 t 38.26 31.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' PHE . 80.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.638 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.442 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 44.5 p-80 -154.34 102.69 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 40.67 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -149.82 153.1 36.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.379 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 m -100.94 130.77 46.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.53 -39.7 94.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -40.89 -55.97 2.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.68 -47.96 72.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.461 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.15 -42.86 95.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 71' ' ' MET . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CE1' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 18' ' ' PHE . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HB3' ' HZ3' ' A' ' 89' ' ' LYS . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.489 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD12 ' HZ2' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HZ2' HD12 ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 11' ' ' LEU . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' MET . 12.8 t -55.6 -46.36 79.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.89 150.04 25.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.183 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.65 3.76 90.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.0 61.09 0.07 OUTLIER Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.16 159.34 40.72 Favored Glycine 0 C--O 1.227 -0.331 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.01 87.19 0.17 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.94 3.84 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' HZ3' ' HB3' ' A' ' 38' ' ' LEU . 15.8 pttp -75.8 -8.22 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 1.5 m-85 -76.33 -87.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.356 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -141.94 44.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.4 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.556 179.832 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -77.69 145.84 36.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt 47.35 66.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 9' ' ' GLU . 60.9 t0 -147.88 126.04 12.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -90.82 133.8 34.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 63.1 t0 -57.57 -39.67 77.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.83 -57.76 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.389 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -52.32 -48.7 65.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.405 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 4' ' ' ASP . 97.7 mt-10 -57.14 -44.06 83.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 13' ' ' GLU . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE1' HG11 ' A' ' 34' ' ' VAL . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 18' ' ' PHE . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 53' ' ' GLU . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.582 HD21 ' CD ' ' A' ' 65' ' ' GLU . 35.9 t30 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.582 ' CD ' HD21 ' A' ' 63' ' ' ASN . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.62 ' O ' HG12 ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 71' ' ' MET . 15.0 p -61.26 -44.27 98.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' N ' HG13 ' A' ' 74' ' ' VAL . 13.0 ptm180 -93.2 121.07 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.6 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.2 34.94 89.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.42 -49.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.39 -97.47 0.16 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.86 153.47 21.8 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . -79.9 -158.26 15.6 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -53.43 -34.73 58.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -55.95 -32.19 63.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.117 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.53 -75.98 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.5 p 44.07 -131.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.714 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 2' ' ' HIS . 4.6 m80 -93.53 133.07 37.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ASP . 11.8 ptt? -174.24 60.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' MET . 99.7 m-20 50.36 179.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -105.62 129.44 53.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.321 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -61.8 -34.23 75.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.88 -55.82 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.508 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -49.95 -37.85 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.69 -38.49 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 17' ' ' VAL . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.476 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.476 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 48.5 p-10 -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD1' ' C ' ' A' ' 24' ' ' GLY . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 42' ' ' LEU . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' LEU . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.702 ' O ' HG23 ' A' ' 74' ' ' VAL . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 70' ' ' MET . 36.8 t -56.77 -46.4 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -89.14 98.25 11.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.96 -16.24 36.38 Favored Glycine 0 N--CA 1.463 0.46 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . -139.2 27.93 2.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -36.24 127.56 0.94 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 80' ' ' GLY . . . -138.55 -107.56 0.78 Allowed Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 79' ' ' GLY . . . -27.39 150.43 0.0 OUTLIER Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.38 -45.55 17.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 38' ' ' LEU . 28.4 ttpt -80.72 4.06 20.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 91' ' ' SER . 0.2 OUTLIER -87.15 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.221 0.534 . . . . 0.0 110.435 179.779 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 90' ' ' PHE . 5.2 p 57.32 154.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.633 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -101.85 100.72 11.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.438 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -63.61 -60.4 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.431 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.5 t0 57.15 57.61 4.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 7' ' ' ALA . 8.8 m -81.94 137.68 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -65.46 -35.28 80.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.533 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -42.44 -55.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -53.29 -42.45 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.13 -41.93 80.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 36' ' ' ILE . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.638 ' N ' HD12 ' A' ' 56' ' ' LEU . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.588 ' O ' HG13 ' A' ' 74' ' ' VAL . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 71' ' ' MET . 2.5 m -53.32 -26.19 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 92' ' ' SER . 95.4 mtt180 -93.38 142.22 27.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.77 -11.31 62.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.28 63.15 0.64 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.43 -160.77 14.15 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.5 -49.45 2.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.38 -165.9 23.53 Favored Glycine 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -62.34 -55.21 30.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.23 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.856 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -83.91 103.35 13.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -94.45 -156.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.07 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.524 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 76.7 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.48 -12.74 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.596 ' O ' ' C ' ' A' ' 4' ' ' ASP . 1.3 mpt? -81.9 97.89 8.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.173 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.596 ' C ' ' O ' ' A' ' 3' ' ' MET . 52.9 p-10 11.79 79.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.664 0.603 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' GLY . 10.8 m -75.47 142.43 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.276 -178.607 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.11 -42.17 76.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.45 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.348 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.71 -45.78 49.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -41.4 97.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.33 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 38.0 mm-40 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.23 -45.92 95.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -95.65 120.2 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.12 35.01 16.12 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . 153.82 31.11 0.03 OUTLIER Glycine 0 C--N 1.329 0.185 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -31.43 127.6 0.21 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.32 56.41 0.44 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.199 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.96 128.77 1.37 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -86.14 -45.36 11.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.38 -8.35 54.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.0 m-85 -84.8 -99.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p 46.59 73.75 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.3 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.609 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.5 -39.13 91.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.1 mmm 46.86 85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.657 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -165.45 24.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 p -73.44 90.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.02 -34.52 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.46 -56.49 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -51.47 -38.82 55.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.499 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.99 -41.21 82.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' LEU . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' H ' ' CG ' ' A' ' 59' ' ' ASP . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 63' ' ' ASN . 1.2 m-20 -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 75' ' ' ARG . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 76' ' ' GLY . 35.3 m -32.06 -31.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 73' ' ' THR . 34.5 ttm180 -51.46 -9.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.155 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 74' ' ' VAL . . . 136.13 -3.47 3.72 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.67 -92.42 0.54 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' H ' ' HB ' ' A' ' 73' ' ' THR . . . -69.84 -137.41 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.37 175.01 31.19 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . 164.04 118.78 0.46 Allowed Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' PHE . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -45.61 -40.29 8.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.54 -21.53 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.053 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.6 m-85 -82.61 -97.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.49 ' O ' ' NH1' ' A' ' 87' ' ' ARG . 40.0 t -164.38 145.96 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 -179.415 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 6.4 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.569 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 1' ' ' GLY . 8.3 m80 69.05 -21.58 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.722 0.296 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 1' ' ' GLY . 61.0 mtt -64.06 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -150.57 156.7 41.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -73.72 80.92 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.742 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.0 -41.69 83.61 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.16 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.35 8.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.9 -47.34 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.412 . . . . 0.0 110.345 -179.646 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -64.65 -39.79 94.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 179.784 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 34' ' ' VAL . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.643 ' HE1' HD21 ' A' ' 63' ' ' ASN . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 18' ' ' PHE . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' ASN . . . . . 0.643 HD21 ' HE1' ' A' ' 25' ' ' TYR . 21.1 t-20 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.783 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 75' ' ' ARG . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 70' ' ' MET . 17.1 t -55.33 -7.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 74' ' ' VAL . 13.2 ptt180 -35.55 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.405 0.622 . . . . 0.0 109.796 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 74.16 -68.48 1.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -178.025 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.69 -140.67 4.22 Favored Glycine 0 C--N 1.342 0.877 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.6 5.81 31.4 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.36 89.6 1.4 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.027 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.42 82.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -86.68 -39.95 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -70.64 -2.88 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.762 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -101.54 42.16 1.15 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.305 0.574 . . . . 0.0 110.257 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.4 p -52.63 -40.77 63.11 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.497 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.539 179.802 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 71.05 -47.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.6 mtp -64.95 -39.74 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -171.43 162.43 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.478 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 60.7 p -72.95 87.83 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -59.38 -40.28 86.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.09 -58.13 3.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.97 -44.84 51.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 -68.47 -37.37 80.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 14' ' ' ALA . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 42' ' ' LEU . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' ASP . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' THR . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 70' ' ' MET . 20.7 t -58.61 -45.32 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -86.93 100.1 12.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.32 -61.31 0.58 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.04 48.82 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.55 35.61 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.93 144.83 15.51 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.16 116.05 0.62 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -56.57 -65.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' SER . 25.5 mtpp -58.15 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.015 179.349 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 89' ' ' LYS . 4.2 m-85 28.6 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.565 0.54 . . . . 0.0 110.823 -179.689 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 89' ' ' LYS . 19.4 m -146.67 29.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.268 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.522 179.945 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 76.3 m80 -156.49 -83.02 0.06 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' THR . 76.5 mtm -62.12 -43.16 99.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 3' ' ' MET . 62.5 t0 17.2 -82.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.433 1.083 . . . . 0.0 111.063 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' MET . 3.7 m -31.07 121.55 0.22 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.858 0.724 . . . . 0.0 109.953 179.139 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.69 -43.91 69.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.222 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.37 -60.26 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 179.659 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -58.09 -62.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -45.47 -52.59 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.356 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 68' ' ' VAL . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 40' ' ' GLU . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 38' ' ' LEU . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 36' ' ' ILE . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 11' ' ' LEU . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' A' ' 56' ' ' LEU . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 87' ' ' ARG . 50.7 t -60.49 -44.15 95.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -83.84 95.01 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.63 -13.1 50.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 73' ' ' THR . . . -135.12 24.57 3.41 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -35.09 123.66 0.57 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . -146.42 -104.92 0.42 Allowed Glycine 0 CA--C 1.509 -0.281 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -19.64 136.04 0.01 OUTLIER Glycine 0 C--N 1.35 1.345 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.449 ' HG3' HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.576 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 -39.5 -45.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -132.0 87.7 2.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.643 179.264 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.7 t80 -93.83 164.35 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.683 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 92' ' ' SER . 94.3 p -23.78 -82.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.997 0.811 . . . . 0.0 111.009 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.521 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.5 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.606 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' MET . 80.6 m80 52.56 -165.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' HIS . 77.3 mtm 51.27 103.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.584 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 6' ' ' ASP . 36.7 m-20 -91.81 -42.62 9.99 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' ALA . 35.2 p -28.47 -34.81 0.01 OUTLIER 'General case' 0 C--N 1.344 0.362 0 O-C-N 123.79 0.681 . . . . 0.0 110.529 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.3 m-20 -46.44 -16.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 178.779 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' THR . . . -86.25 -42.54 13.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.118 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.56 -52.56 59.32 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 5' ' ' THR . 22.6 mp0 -67.14 -41.94 85.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 18' ' ' PHE . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 33' ' ' HIS . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 21.3 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.88 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 74' ' ' VAL . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 70' ' ' MET . 32.1 t -57.21 -45.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.98 103.2 15.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.062 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.76 22.7 4.94 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.17 -63.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.83 166.26 37.02 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . 175.89 -114.57 0.49 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.856 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -26.76 145.65 0.01 OUTLIER Glycine 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 -38.67 -32.5 0.08 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -128.67 86.4 2.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.395 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -159.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.92 0.391 . . . . 0.0 110.679 179.048 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.9 m -135.55 64.62 1.57 Allowed 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.441 179.809 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 50.39 11.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.494 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 1' ' ' GLY . 52.6 ttm -73.58 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 4' ' ' ASP . 65.3 t0 -174.84 42.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -80.44 90.77 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 35.6 p30 -62.65 -24.67 67.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.15 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.66 -55.93 24.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.87 -46.94 68.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -42.25 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.591 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.591 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 36.2 p-10 -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG11 ' HB1' ' A' ' 28' ' ' ALA . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 64' ' ' TYR . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 74' ' ' VAL . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t -66.94 -19.06 25.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -58.3 -10.64 2.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 110.433 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.78 3.44 2.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 -7.26 86.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.84 -109.3 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 156.68 6.33 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.98 -153.14 23.65 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.857 HD22 ' CE2' ' A' ' 90' ' ' PHE . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -73.19 -46.82 48.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -140.2 95.82 2.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.631 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.857 ' CE2' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -126.64 -147.47 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.116 0.484 . . . . 0.0 110.24 178.358 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -116.23 92.89 4.02 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.239 179.854 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 42.5 p-80 -85.63 125.28 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm 44.88 60.24 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -162.25 5.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -66.92 96.94 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.76 -37.48 79.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.96 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.466 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -54.54 -48.82 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.422 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.48 -41.97 92.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.42 ' SD ' HD12 ' A' ' 42' ' ' LEU . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' SD ' ' A' ' 35' ' ' MET . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 54' ' ' ALA . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' VAL . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.703 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 70' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 70' ' ' MET . 51.8 t -61.06 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.06 115.43 28.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.75 -60.38 0.34 Allowed Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 -53.11 2.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.6 112.53 0.07 OUTLIER Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.5 54.45 0.42 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.92 126.97 1.19 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.99 -38.46 13.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.17 -7.89 45.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.597 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.4 -93.41 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m 50.22 72.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.584 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.232 0.135 0 N-CA-C 110.568 -0.16 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' NZ ' HE21 ' A' ' 22' ' ' GLN . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 34' ' ' VAL . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.523 HE21 ' NZ ' ' A' ' 16' ' ' LYS . 39.6 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.759 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.759 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 33' ' ' HIS . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' HG21 ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.447 HG21 ' CE2' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.627 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 89.8 t . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.627 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.878 0.37 . . . . 0.0 110.678 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' HG11 ' A' ' 34' ' ' VAL . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CE1' ' A' ' 18' ' ' PHE . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.71 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 79.7 mm-40 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.71 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.636 HG13 ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.636 ' N ' HG13 ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' VAL . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' MET . 35.6 t . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 . . . . . 0 N--CA 1.456 -0.157 0 CA-C-O 120.787 0.327 . . . . 0.0 110.399 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 17' ' ' VAL . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 13' ' ' GLU . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' C ' HD12 ' A' ' 56' ' ' LEU . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 . . . . . 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.811 0.339 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 68' ' ' VAL . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.423 ' OD1' ' OD1' ' A' ' 23' ' ' ASN . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 48.8 m170 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.493 ' SD ' HD22 ' A' ' 42' ' ' LEU . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 38' ' ' LEU . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' C ' HD12 ' A' ' 42' ' ' LEU . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 28' ' ' ALA . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.645 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.699 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' GLU . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 2.2 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 38' ' ' LEU . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.566 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.541 HG12 ' O ' ' A' ' 71' ' ' MET . 10.7 p . . . . . 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 . . . . . 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 . . . . . 0 CA--C 1.522 -0.104 0 CA-C-O 120.616 0.246 . . . . 0.0 110.415 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 71' ' ' MET . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.429 ' C ' HD22 ' A' ' 56' ' ' LEU . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 11' ' ' LEU . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 43.7 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 87' ' ' ARG . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.2 tt0 . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.779 0.323 . . . . 0.0 110.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 71' ' ' MET . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 31' ' ' LEU . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 29' ' ' SER . 21.5 m-70 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' HB1' ' A' ' 28' ' ' ALA . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.64 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 11' ' ' LEU . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 70' ' ' MET . 41.9 t . . . . . 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.673 0.273 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.601 ' NZ ' HG22 ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.601 HG22 ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 70' ' ' MET . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 70' ' ' MET . 9.9 p . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 . . . . . 0 C--O 1.228 -0.041 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 68' ' ' VAL . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 34' ' ' VAL . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.516 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 30' ' ' GLU . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.633 HD22 HH11 ' A' ' 85' ' ' ARG . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 28' ' ' ALA . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.8 HD22 ' H ' ' A' ' 65' ' ' GLU . 1.1 t30 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 68' ' ' VAL . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.8 ' H ' HD22 ' A' ' 63' ' ' ASN . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 11' ' ' LEU . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.482 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 70' ' ' MET . 38.8 t . . . . . 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.633 HH11 HD22 ' A' ' 42' ' ' LEU . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 . . . . . 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 . . . . . 0 N--CA 1.456 -0.126 0 N-CA-C 110.314 -0.254 . . . . 0.0 110.314 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.84 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.812 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 70' ' ' MET . 21.8 t . . . . . 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 . . . . . 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 . . . . . 0 CA--C 1.526 0.042 0 CA-C-O 120.758 0.313 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.431 HD21 ' SD ' ' A' ' 71' ' ' MET . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' A' ' 42' ' ' LEU . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' SD ' ' A' ' 35' ' ' MET . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 44' ' ' ASP . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.452 ' H ' HG22 ' A' ' 43' ' ' THR . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.81 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.431 ' SD ' HD21 ' A' ' 11' ' ' LEU . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' MET . 24.0 t . . . . . 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 . . . . . 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 tp10 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.828 0.347 . . . . 0.0 110.151 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 29' ' ' SER . 26.2 m-70 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.72 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 87.5 mm-40 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.72 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' HD12 ' A' ' 56' ' ' LEU . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 6.5 t-20 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.475 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 74' ' ' VAL . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 70' ' ' MET . 38.5 t . . . . . 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 . . . . . 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.824 0.345 . . . . 0.0 110.484 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.563 ' OD1' ' ND2' ' A' ' 23' ' ' ASN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.534 ' N ' HD22 ' A' ' 23' ' ' ASN . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.584 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 52.5 m170 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 56' ' ' LEU . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 55' ' ' ASP . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 3.8 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 68' ' ' VAL . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 64' ' ' TYR . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.614 ' O ' HG12 ' A' ' 74' ' ' VAL . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' MET . 1.6 p . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 . . . . . 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 . . . . . 0 N--CA 1.458 -0.06 0 CA-C-O 120.951 0.405 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 29' ' ' SER . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 42' ' ' LEU . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' HB1' ' A' ' 28' ' ' ALA . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 56' ' ' LEU . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.805 ' O ' HG23 ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 70' ' ' MET . 4.8 t . . . . . 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 . . . . . 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.578 0.227 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.471 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 42' ' ' LEU . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 36' ' ' ILE . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 41' ' ' LYS . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' SD ' ' A' ' 35' ' ' MET . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.697 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 96.0 mm-40 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.697 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' MET . 41.7 t . . . . . 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 . . . . . 0 CA--C 1.526 0.041 0 N-CA-C 110.135 -0.321 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 34' ' ' VAL . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 29' ' ' SER . 25.0 m-70 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 30' ' ' GLU . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' ' 36' ' ' ILE . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.508 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 56' ' ' LEU . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 74' ' ' VAL . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.464 ' N ' ' O ' ' A' ' 69' ' ' LYS . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.411 HG12 ' O ' ' A' ' 71' ' ' MET . 13.9 p . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.421 ' NH1' HH12 ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.421 HH12 ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 . . . . . 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 . . . . . 0 CA--C 1.525 -0.01 0 CA-C-O 120.853 0.359 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 34' ' ' VAL . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 18' ' ' PHE . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.508 ' C ' HD12 ' A' ' 42' ' ' LEU . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HB1' ' A' ' 28' ' ' ALA . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.896 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 1.6 t-20 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.671 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' MET . 25.3 t . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 . . . . . 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.84 0.352 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 17' ' ' VAL . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 13' ' ' GLU . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 26.1 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.504 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 29' ' ' SER . 41.6 m-70 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.453 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' HB1' ' A' ' 28' ' ' ALA . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 5.1 pt20 -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 56' ' ' LEU . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HZ3' ' A' ' 69' ' ' LYS . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.464 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.504 ' NE2' ' CD1' ' A' ' 25' ' ' TYR . 14.3 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 68' ' ' VAL . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 64' ' ' TYR . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HZ3' HD23 ' A' ' 56' ' ' LEU . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 40.4 t . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.439 ' H ' HE21 ' A' ' 49' ' ' GLN . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.795 0.331 . . . . 0.0 110.309 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 71' ' ' MET . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CE1' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.453 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.453 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 18' ' ' PHE . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.489 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.581 HD12 ' HZ2' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HZ2' HD12 ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 11' ' ' LEU . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' MET . 12.8 t . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 . . . . . 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.757 0.313 . . . . 0.0 110.523 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 13' ' ' GLU . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE1' HG11 ' A' ' 34' ' ' VAL . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 18' ' ' PHE . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.53 ' NE2' ' NZ ' ' A' ' 52' ' ' LYS . 74.6 mm-40 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.53 ' NZ ' ' NE2' ' A' ' 49' ' ' GLN . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 2.7 t-20 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.702 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.62 ' O ' HG12 ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 71' ' ' MET . 15.0 p . . . . . 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . . . . . . 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 . . . . . 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 . . . . . 0 N--CA 1.458 -0.05 0 CA-C-O 120.944 0.402 . . . . 0.0 110.614 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 17' ' ' VAL . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.549 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.756 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.756 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.562 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 42' ' ' LEU . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' LEU . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.702 ' O ' HG23 ' A' ' 74' ' ' VAL . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 70' ' ' MET . 36.8 t . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.843 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 . . . . . 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.698 0.285 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.526 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 33' ' ' HIS . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 36' ' ' ILE . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.638 ' N ' HD12 ' A' ' 56' ' ' LEU . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.677 HD22 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.464 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.588 ' O ' HG13 ' A' ' 74' ' ' VAL . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 71' ' ' MET . 2.5 m . . . . . 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 . . . . . 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 . . . . . 0 C--O 1.228 -0.074 0 CA-C-O 120.728 0.299 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.602 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 . . . . . 0 N--CA 1.456 -0.151 0 CA-C-O 120.774 0.321 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' LEU . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.457 ' H ' ' CG ' ' A' ' 59' ' ' ASP . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 0.5 OUTLIER -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.445 ' O ' ' C ' ' A' ' 74' ' ' VAL . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 ' C ' ' O ' ' A' ' 73' ' ' THR . 35.3 m . . . . . 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . . . . . . 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.457 -0.112 0 CA-C-O 120.76 0.314 . . . . 0.0 110.253 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 34' ' ' VAL . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 18' ' ' PHE . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.448 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . 0.83 HD22 ' H ' ' A' ' 65' ' ' GLU . 2.4 t30 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.438 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 63' ' ' ASN . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.783 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 70' ' ' MET . 17.1 t . . . . . 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 . . . . . 0 C--O 1.228 -0.043 0 CA-C-O 120.624 0.249 . . . . 0.0 110.376 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 14' ' ' ALA . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 33' ' ' HIS . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 9.3 m-70 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 42' ' ' LEU . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' ASP . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' THR . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 70' ' ' MET . 20.7 t . . . . . 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 . . . . . 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 . . . . . 0 CA--C 1.527 0.067 0 CA-C-O 120.813 0.34 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 68' ' ' VAL . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 40' ' ' GLU . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 38' ' ' LEU . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 36' ' ' ILE . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 11' ' ' LEU . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' A' ' 56' ' ' LEU . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 87' ' ' ARG . 50.7 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 1.105 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.576 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.449 ' HG3' HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.576 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 . . . . . 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 22.6 mp0 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.74 0.305 . . . . 0.0 110.62 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 18' ' ' PHE . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 33' ' ' HIS . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.88 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.426 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 74' ' ' VAL . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 70' ' ' MET . 32.1 t . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 . . . . . 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.835 0.35 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.773 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.632 ' N ' HD22 ' A' ' 23' ' ' ASN . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.773 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.516 HG11 ' HB1' ' A' ' 28' ' ' ALA . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 64' ' ' TYR . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 74' ' ' VAL . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 . . . . . 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 CA--C 1.525 0.011 0 CA-C-O 120.788 0.328 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.588 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.42 ' SD ' HD12 ' A' ' 42' ' ' LEU . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' SD ' ' A' ' 35' ' ' MET . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 54' ' ' ALA . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' VAL . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.703 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 70' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 70' ' ' MET . 51.8 t . . . . . 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.518 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.483 -1.447 . . . . 0.0 109.483 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.518 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 34.8 p80 40.38 25.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.803 0.335 . . . . 0.0 110.65 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 1' ' ' GLY . 77.8 mtm -65.01 -39.04 92.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.592 ' C ' HG23 ' A' ' 5' ' ' THR . 3.6 m-20 65.51 -145.35 0.21 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.274 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.592 HG23 ' C ' ' A' ' 4' ' ' ASP . 3.9 p 77.9 -29.14 0.16 Allowed 'General case' 0 CA--C 1.518 -0.283 0 O-C-N 123.646 0.591 . . . . 0.0 110.978 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.443 ' H ' ' C ' ' A' ' 4' ' ' ASP . 66.5 m-20 -46.22 -17.78 0.04 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.068 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.478 ' N ' ' C ' ' A' ' 5' ' ' THR . . . -83.69 -42.78 16.24 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.033 179.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -54.77 -54.76 37.8 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.593 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -64.8 -43.29 93.66 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.568 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.526 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 0.6 OUTLIER -61.05 -54.11 48.85 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.379 -0.528 . . . . 0.0 111.374 -179.57 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 57.7 mt -63.08 -42.6 99.66 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.887 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.3 ttmt -65.16 -50.02 67.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.061 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -59.89 -50.91 71.93 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.058 0.456 . . . . 0.0 110.7 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.36 86.59 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.495 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -56.37 -43.66 79.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.527 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' NZ ' HE21 ' A' ' 22' ' ' GLN . 62.3 tttp -61.84 -34.45 75.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.372 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.7 t -73.52 -40.92 56.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.939 179.039 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' HG11 ' A' ' 34' ' ' VAL . 4.5 m-85 -60.57 -45.43 93.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.548 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.554 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 35.6 t0 -83.99 75.81 10.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.485 -179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.9 mmtt -56.3 -40.84 74.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.353 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.0 m-20 -65.42 -21.65 66.69 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.523 HE21 ' NZ ' ' A' ' 16' ' ' LYS . 39.6 tt0 61.96 39.15 13.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.068 0.461 . . . . 0.0 110.574 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.759 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -100.15 0.21 40.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.48 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.554 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 76.03 17.29 80.12 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.759 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 33.6 m-85 -142.89 116.99 9.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.974 0.416 . . . . 0.0 110.661 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.3 mt -84.1 133.48 29.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.108 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.5 m -123.99 153.11 41.75 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.534 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.63 -36.36 0.93 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.66 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 60.2 p -58.71 -51.34 70.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.851 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 76.2 mt-10 -67.06 -42.09 85.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.708 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -61.72 -45.12 95.29 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.815 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.0 ttt-85 -63.57 -41.65 98.37 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.502 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.52 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.67 -41.03 94.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.034 0.445 . . . . 0.0 110.371 -178.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.52 HG23 ' CE1' ' A' ' 33' ' ' HIS . 53.5 t -67.12 -42.62 88.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.366 -178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.0 mmt -63.59 -40.94 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.619 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.7 mm -66.41 -44.06 90.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.627 179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -61.53 -26.1 67.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.774 179.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.2 mt -80.18 3.8 19.48 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.64 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.1 24.79 63.16 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.407 ' OE2' ' CD ' ' A' ' 89' ' ' LYS . 99.7 mt-10 -117.19 132.99 56.52 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.724 0.297 . . . . 0.0 110.431 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.7 mttp -107.54 97.84 7.53 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.195 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.41 145.7 38.47 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.133 -179.453 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -80.87 158.51 25.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.497 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -53.41 -37.66 62.71 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.333 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -52.61 -46.06 66.86 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -62.3 -42.56 99.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.155 0.502 . . . . 0.0 110.593 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 78.1 t -65.54 -46.3 90.11 Favored 'Isoleucine or valine' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -60.81 -44.77 96.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.246 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -58.08 -38.4 76.31 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.343 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.701 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.2 mmm -64.13 -41.02 97.38 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.98 0.419 . . . . 0.0 110.867 179.054 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.439 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.0 mt -66.26 -43.04 91.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.702 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -60.97 -44.91 96.65 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.85 0.357 . . . . 0.0 110.588 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.71 -47.54 84.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.772 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.95 -44.2 41.13 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.203 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.453 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 60.8 t0 -69.62 119.33 13.7 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.765 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.6 mt -101.24 -8.95 21.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.517 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.445 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 3.9 p30 -114.46 1.7 14.42 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.646 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.406 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.92 56.01 7.01 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.453 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.7 p-10 -99.37 8.94 44.21 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.745 0.307 . . . . 0.0 110.498 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 71.95 0.52 43.27 Favored Glycine 0 CA--C 1.52 0.394 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.445 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 57.7 mt-30 -139.28 147.24 41.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.01 0.433 . . . . 0.0 110.33 -179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -104.91 124.97 59.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.162 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -84.85 164.5 18.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.473 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.447 ' CE2' HG21 ' A' ' 68' ' ' VAL . 82.7 t80 -55.92 -42.68 76.46 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.636 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 61.6 mm-40 -58.24 -44.6 88.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.964 0.412 . . . . 0.0 110.778 -179.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 86.1 mt-10 -64.0 -31.87 73.22 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -71.48 -47.74 53.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.992 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.447 HG21 ' CE2' ' A' ' 64' ' ' TYR . 73.4 t -61.21 -52.54 60.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.027 -178.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.504 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.3 ptmt -59.5 -44.46 93.1 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.611 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.9 mmm -62.11 -39.67 93.31 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.601 -179.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.627 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 77.6 mmm -70.11 -34.9 73.68 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.887 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 53.7 mtt -67.0 -38.9 86.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 75' ' ' ARG . 12.9 m -71.15 -62.06 1.54 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.213 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 89.8 t -41.46 -23.79 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.445 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 73' ' ' THR . 61.7 ttt85 -90.71 83.79 5.8 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.035 179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 100.3 -38.42 3.13 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 73' ' ' THR . . . -81.27 -45.78 7.3 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 95.76 149.09 25.19 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.881 -0.887 . . . . 0.0 110.881 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -137.51 -142.07 4.32 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.684 -0.966 . . . . 0.0 110.684 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -73.84 -160.11 6.42 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.538 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 43.4 p-10 -91.89 -30.17 16.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.978 0.418 . . . . 0.0 110.665 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.538 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -74.74 -48.21 13.08 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.651 -0.785 . . . . 0.0 111.478 179.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.701 ' N ' ' SD ' ' A' ' 50' ' ' MET . 98.1 m95 -62.19 -43.32 99.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 0.0 110.168 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 16.4 m -62.41 -36.43 82.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.41 179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -64.37 -41.36 96.76 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.004 179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.516 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 12.7 tp -72.37 -42.48 65.22 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.742 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.627 ' HE ' ' CE ' ' A' ' 71' ' ' MET . 0.3 OUTLIER -72.57 -15.83 61.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.622 -179.662 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -88.81 -43.64 11.09 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.506 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' CD ' ' OE2' ' A' ' 40' ' ' GLU . 63.3 tttm -72.63 -8.83 57.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.367 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.516 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -80.77 -96.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.684 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 73.9 m -73.14 -73.51 0.2 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.494 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 t . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.521 179.927 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 109.555 -1.418 . . . . 0.0 109.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -99.51 108.67 21.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.894 0.378 . . . . 0.0 110.282 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 83.3 mtp -132.1 130.51 41.3 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.483 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 5' ' ' THR . 45.1 t0 -163.81 -127.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.626 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.403 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 43.3 p -62.04 86.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 34.9 p-10 -61.48 -33.85 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.29 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -55.87 -56.62 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.451 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -49.83 -39.18 37.99 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.582 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.36 -39.83 85.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.678 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 41.8 tt0 -60.13 -52.28 66.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.716 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.486 HD22 ' N ' ' A' ' 11' ' ' LEU . 3.9 mm? -60.7 -43.15 98.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.895 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 31.5 tptt -69.5 -54.98 11.55 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.048 0.452 . . . . 0.0 111.194 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 96.5 mt-10 -60.66 -51.19 70.41 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.601 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.51 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.59 -45.93 84.65 Favored 'General case' 0 C--O 1.223 -0.339 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.561 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.75 -27.42 67.94 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.773 0.32 . . . . 0.0 110.815 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -71.56 -35.91 70.77 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.262 -179.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -75.63 -33.92 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' CE1' HG11 ' A' ' 34' ' ' VAL . 12.9 m-85 -61.56 -44.38 97.14 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.127 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.528 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 35.7 t0 -76.64 81.56 3.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.444 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -55.59 -44.77 77.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.209 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.42 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.1 m-20 -62.87 -20.98 65.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.899 0.38 . . . . 0.0 110.092 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 58.92 47.06 12.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.471 179.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.528 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 21.4 p-10 -105.28 -34.62 7.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.483 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 123.05 18.26 3.18 Favored Glycine 0 N--CA 1.465 0.591 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -150.69 148.04 28.09 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 120.849 0.356 . . . . 0.0 110.377 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.2 mt -107.66 136.18 43.83 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.311 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 41.5 t -123.38 156.28 35.72 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.525 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -46.28 -39.34 9.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.415 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.482 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.5 m -60.26 -46.29 90.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.737 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 67.4 mt-10 -69.42 -43.02 74.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.7 tp -63.77 -45.65 88.82 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.108 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -62.81 -42.41 99.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.516 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.482 ' ND1' ' O ' ' A' ' 29' ' ' SER . 38.3 m170 -62.37 -41.14 98.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.014 0.435 . . . . 0.0 110.909 -179.505 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.484 HG11 ' CE1' ' A' ' 18' ' ' PHE . 69.2 t -68.59 -40.65 82.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.754 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.4 mmt -63.15 -41.44 99.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.624 -179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 mm -66.87 -42.74 89.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.814 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.84 -26.49 68.64 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.348 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 52.8 mt -80.85 3.48 22.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.744 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.04 18.88 71.14 Favored Glycine 0 CA--C 1.519 0.337 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.449 ' CD ' ' NZ ' ' A' ' 89' ' ' LYS . 41.2 mt-10 -106.83 125.56 51.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.858 0.361 . . . . 0.0 110.499 -179.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.77 88.62 3.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.157 179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.4 mt -106.3 137.69 43.81 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.302 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -75.96 157.42 33.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.627 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 33.9 p-10 -52.26 -34.92 48.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.6 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 14.4 pt-20 -58.83 -41.59 87.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.496 -179.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.425 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 80.7 mm-40 -61.32 -40.5 94.45 Favored 'General case' 0 C--O 1.241 0.615 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.439 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -64.19 -47.16 91.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.532 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -62.14 -46.28 89.68 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.193 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.71 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 79.7 mm-40 -53.99 -42.19 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.436 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.2 mtp -69.93 -40.29 75.6 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.969 179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.4 mt -68.66 -46.46 79.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.71 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 33.5 pttt -64.09 -43.21 96.08 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.156 -179.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.475 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 17.9 tt0 -67.17 -39.95 86.54 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.623 -178.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.35 -46.71 26.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.719 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.25 129.37 39.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.617 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 75.5 mt -102.86 -6.54 22.4 Favored 'General case' 0 CA--C 1.517 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.477 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 38.8 p-10 -119.25 -1.25 10.86 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.545 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.38 53.37 6.88 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 47.0 p-10 -83.76 -13.51 53.73 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.867 0.365 . . . . 0.0 110.594 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.36 -8.44 55.16 Favored Glycine 0 N--CA 1.464 0.557 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -138.87 149.81 45.28 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.867 0.365 . . . . 0.0 110.371 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -94.29 126.82 46.64 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.243 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -89.3 159.81 17.2 Favored 'General case' 0 C--N 1.334 -0.08 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.367 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -52.64 -42.82 64.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.286 -179.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 58.8 mm-40 -60.66 -43.42 97.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.234 0.54 . . . . 0.0 110.121 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -66.36 -38.52 87.78 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.164 0.507 . . . . 0.0 110.304 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -69.75 -53.12 19.9 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.568 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.636 HG13 ' N ' ' A' ' 69' ' ' LYS . 9.0 p -60.61 -49.73 83.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.428 -178.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.636 ' N ' HG13 ' A' ' 68' ' ' VAL . 6.6 ptmm? -60.18 -44.79 94.78 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.47 -178.448 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.836 ' O ' HG23 ' A' ' 74' ' ' VAL . 79.4 mmm -65.21 -38.19 89.68 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.546 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 50.1 mmm -61.84 -35.47 78.34 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.624 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.5 mtt -81.97 -54.15 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.412 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.437 ' O ' ' O ' ' A' ' 78' ' ' GLY . 25.2 m -45.51 -21.99 0.13 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 70' ' ' MET . 35.6 t -59.87 -44.86 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.567 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.3 ttt-85 -59.04 140.61 55.59 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 95.57 -30.47 8.29 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.567 -1.013 . . . . 0.0 110.567 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.59 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . 136.56 -31.21 2.61 Favored Glycine 0 N--CA 1.463 0.48 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.437 ' O ' ' O ' ' A' ' 73' ' ' THR . . . -56.23 72.38 0.01 OUTLIER Glycine 0 CA--C 1.529 0.908 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.59 ' N ' ' O ' ' A' ' 77' ' ' GLY . . . -158.46 152.01 23.11 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -81.31 -156.91 16.52 Favored Glycine 0 CA--C 1.522 0.497 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -90.91 -36.2 14.29 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.643 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.82 -50.82 7.54 Favored Glycine 0 CA--C 1.528 0.893 0 N-CA-C 111.37 -0.692 . . . . 0.0 111.37 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -60.43 -41.59 94.31 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.959 0.409 . . . . 0.0 110.208 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 28.1 t -66.38 -34.71 78.57 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.188 179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.7 ttt85 -62.43 -42.97 99.85 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.666 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.8 tp -71.32 -38.75 71.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.61 -16.75 60.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.77 -178.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -74.93 -48.72 23.12 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.962 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' NZ ' ' CD ' ' A' ' 40' ' ' GLU . 19.2 ptmt -82.41 6.07 18.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.918 -179.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -99.22 42.98 1.07 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.361 0.601 . . . . 0.0 110.144 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 92' ' ' SER . 62.2 m -144.52 148.95 35.11 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.478 179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 91' ' ' SER . 6.7 p . . . . . 0 C--O 1.218 -0.564 0 CA-C-O 118.129 -0.938 . . . . 0.0 110.712 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.209 0 N-CA-C 109.622 -1.391 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.527 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 53.6 p-80 -74.46 72.2 1.85 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.781 0.325 . . . . 0.0 110.625 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 98.5 mtp -128.88 97.03 4.52 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.552 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 56.6 t0 42.57 30.89 0.25 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.658 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 29.4 p -78.49 92.15 4.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.881 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -62.7 -36.94 84.56 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.066 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.55 -56.41 11.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.395 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -52.05 -43.45 63.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.88 0.372 . . . . 0.0 110.643 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -60.37 -41.49 93.83 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.399 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.545 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 42.0 tt0 -58.93 -48.07 82.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.475 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.1 mt -59.18 -41.12 87.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.362 -179.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.9 mmtt -70.83 -54.25 12.28 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.645 -0.422 . . . . 0.0 111.219 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.435 ' O ' HG23 ' A' ' 17' ' ' VAL . 93.6 mt-10 -62.42 -45.25 93.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.457 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.419 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -60.37 -46.84 88.54 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.127 179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -54.18 -45.9 72.25 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.083 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -64.03 -34.34 77.78 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.522 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 13' ' ' GLU . 72.6 t -72.65 -43.68 61.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.111 179.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 17.4 m-85 -60.71 -44.67 96.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.581 -179.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -83.95 75.05 10.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -60.21 -43.59 95.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.017 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.462 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 5.7 m-20 -63.34 -34.67 78.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.171 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 77.0 32.67 0.47 Allowed 'General case' 0 N--CA 1.465 0.301 0 O-C-N 123.531 0.52 . . . . 0.0 110.742 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -82.0 -6.43 59.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.244 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 98.12 -19.49 54.29 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.535 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 2.1 m-85 -130.02 138.19 50.66 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-O 121.275 0.559 . . . . 0.0 110.384 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -80.24 130.39 36.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.163 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.421 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 36.0 t -102.19 -178.2 3.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.6 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -73.3 -39.41 65.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.581 179.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.449 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 66.3 m -57.63 -42.07 82.62 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.706 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.462 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 68.7 mt-10 -70.29 -40.38 74.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.972 -179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.4 tp -60.6 -47.17 87.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.37 . . . . 0.0 111.018 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HG3' ' N ' ' A' ' 33' ' ' HIS . 10.5 ptp85 -68.45 -33.74 74.73 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.461 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' N ' ' HG3' ' A' ' 32' ' ' ARG . 2.3 m-70 -64.67 -44.42 90.43 Favored 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.15 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 78.7 t -66.69 -40.9 87.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.394 179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mmt -64.19 -40.68 96.61 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.667 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.2 mm -67.17 -43.55 88.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.641 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.8 t-20 -62.64 -26.27 68.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.839 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 45.7 mt -80.57 4.15 19.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.778 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.44 26.18 61.85 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -118.5 134.79 54.81 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.794 0.331 . . . . 0.0 110.195 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.0 tttt -108.37 98.3 7.85 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.371 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.523 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -109.2 144.52 37.19 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.326 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.81 158.64 25.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.512 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 42.6 p-10 -52.21 -35.72 50.13 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.555 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.538 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.0 tt0 -54.76 -42.86 72.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.371 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -58.48 -39.22 79.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.526 0.679 . . . . 0.0 110.537 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.405 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.7 t -69.16 -39.94 79.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -66.09 -50.34 64.42 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 120.872 0.367 . . . . 0.0 111.604 -178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -61.31 -35.41 77.28 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.537 -179.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.2 mtp -69.84 -42.57 73.42 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.625 -0.43 . . . . 0.0 111.021 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 88.0 mt -68.69 -46.19 80.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.153 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.006 -179.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.51 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 38.8 pttt -64.38 -45.98 85.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.201 0.524 . . . . 0.0 110.034 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.51 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.0 tp10 -64.97 -33.83 76.99 Favored 'General case' 0 N--CA 1.443 -0.815 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.761 -178.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -81.61 -46.92 13.72 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.978 -179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.448 ' C ' HD12 ' A' ' 56' ' ' LEU . 5.8 m-20 -74.94 136.04 41.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.704 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.4 mp -100.44 -2.24 33.76 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.393 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.7 p-10 -125.55 0.02 7.53 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.504 -0.317 . . . . 0.0 110.516 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.06 60.56 3.45 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.471 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 26.6 p30 -94.13 2.57 55.96 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.815 0.34 . . . . 0.0 110.649 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.15 -2.05 85.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.471 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 13.4 pt20 -138.07 143.22 40.38 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.05 0.452 . . . . 0.0 110.696 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.7 t -94.8 129.75 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.874 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -90.67 154.53 19.5 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.512 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -50.67 -47.38 58.8 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.391 -179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 13.0 pt-20 -59.77 -43.06 94.53 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.884 0.374 . . . . 0.0 110.472 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 96.6 mt-10 -61.31 -39.26 89.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.2 t80 -65.4 -48.23 73.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.888 179.417 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 68.4 t -58.79 -63.61 0.68 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.345 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.068 -179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.469 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -49.66 -42.52 45.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.324 -178.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.469 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.2 mmm -64.06 -43.66 94.8 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.689 -179.538 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.638 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 48.9 tpp -58.14 -31.45 67.23 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.28 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.516 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.4 OUTLIER -77.0 -49.46 15.36 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.506 179.642 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 51.6 m -50.01 -30.3 10.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.354 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.03 -46.2 91.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.443 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -90.95 155.37 18.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.533 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 52.75 34.16 43.83 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 175.14 -71.32 0.09 OUTLIER Glycine 0 CA--C 1.523 0.544 0 N-CA-C 111.05 -0.82 . . . . 0.0 111.05 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.19 133.77 7.7 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.763 -0.935 . . . . 0.0 110.763 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -171.83 101.47 0.17 Allowed Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 115.59 134.59 5.57 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -81.78 -36.41 28.48 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.214 0.531 . . . . 0.0 110.555 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -78.75 -39.91 19.51 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.258 -0.737 . . . . 0.0 111.258 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -63.21 -43.14 98.97 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.826 0.346 . . . . 0.0 110.201 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 15.8 t -67.85 -37.52 81.97 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.265 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.7 ttm-85 -58.9 -44.95 91.32 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.592 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.2 tt -71.13 -38.85 72.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.036 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.638 ' NE ' ' SD ' ' A' ' 71' ' ' MET . 0.0 OUTLIER -70.92 -18.6 62.65 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.534 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 21.1 tpt85 -79.54 -44.99 20.11 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.812 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.2 tttm -77.72 0.85 21.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.45 -179.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.8 m-85 -94.36 45.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.046 0.451 . . . . 0.0 110.155 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 90' ' ' PHE . 7.5 t 61.63 139.03 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.523 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 24.3 p . . . . . 0 C--O 1.221 -0.429 0 CA-C-O 118.032 -0.985 . . . . 0.0 110.597 179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.27 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 18.0 p-80 -81.17 -12.35 59.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.736 0.303 . . . . 0.0 110.494 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 95.7 mmm -63.1 -39.52 94.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.421 -179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -50.15 -89.79 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.652 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 22.8 p -92.57 71.61 5.04 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.469 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 38.7 p-10 -62.73 -34.34 76.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.5 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.501 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.33 -55.91 27.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.673 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 8.2 mp0 -51.31 -38.2 51.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.23 -39.42 86.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.538 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.549 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.5 tt0 -59.95 -49.28 78.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.437 179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.453 HD23 HG23 ' A' ' 68' ' ' VAL . 8.6 mp -61.06 -41.88 97.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.484 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.3 mttp -67.76 -52.38 38.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.859 -179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -57.2 -51.64 68.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.566 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.85 -44.22 86.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.458 179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -53.49 -45.53 69.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 66.1 tttm -63.16 -32.35 73.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.413 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 88.3 t -73.85 -42.79 53.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.64 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.491 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.1 m-85 -64.38 -44.43 91.39 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.603 179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.652 ' OD1' 'CA ' ' A' ' 196' ' ' ' CA' . 43.3 t0 -77.48 69.74 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.535 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -57.24 -45.26 84.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.427 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 17.9 m-20 -64.65 -20.35 66.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.427 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 62.24 36.65 14.67 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.546 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 16.1 p-10 -99.48 5.87 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.676 -179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 75.99 15.48 81.34 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 34.0 m-85 -142.5 141.48 32.11 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.86 0.362 . . . . 0.0 110.466 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.8 mt -107.3 136.14 43.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.511 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 p -111.97 -166.05 1.04 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.603 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.499 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -84.68 -37.43 20.99 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.585 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.422 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 78.3 p -58.12 -44.71 87.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.564 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.8 mt-10 -70.75 -42.52 70.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.623 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.6 tp -60.47 -45.66 92.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -64.41 -42.24 96.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.577 179.531 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.422 ' CG ' ' O ' ' A' ' 29' ' ' SER . 48.8 m170 -58.92 -44.6 91.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.719 -179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 82.8 t -65.1 -41.62 92.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.481 -179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.493 ' SD ' HD22 ' A' ' 42' ' ' LEU . 47.1 mtt -60.73 -40.94 94.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.403 -179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.9 mm -65.34 -42.33 93.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.238 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -59.41 -30.08 68.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.318 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.414 ' HA ' HD23 ' A' ' 38' ' ' LEU . 94.5 mt -76.26 2.05 14.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.552 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.29 24.17 64.06 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -121.78 138.75 54.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.882 0.372 . . . . 0.0 110.464 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' C ' HD12 ' A' ' 42' ' ' LEU . 88.5 tttt -111.73 103.35 11.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.513 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -108.81 148.1 31.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.542 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.407 ' CG2' ' OE1' ' A' ' 45' ' ' GLU . 1.2 m -84.21 159.73 20.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.603 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -51.05 -41.74 60.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.485 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 43.7 mp0 -50.24 -45.87 54.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.571 -179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.589 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 HG11 ' HB1' ' A' ' 28' ' ' ALA . 64.0 t -62.53 -46.34 96.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.575 -179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -61.96 -48.86 78.47 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.523 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -52.62 -40.11 62.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.482 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.7 mtp -71.49 -42.78 67.64 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.86 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASP . 88.9 mt -66.78 -45.12 88.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.967 -178.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.523 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 37.9 pttt -62.4 -42.36 99.37 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.463 -179.318 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.523 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 57.7 mm-40 -61.4 -46.39 90.37 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.472 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -78.41 -41.21 33.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.727 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 61.5 t0 -69.86 117.84 11.95 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.547 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.5 mt -102.02 -8.03 21.83 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.602 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.473 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.8 p30 -114.96 0.59 13.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.562 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.513 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.42 51.11 9.78 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 21.0 p-10 -94.82 4.51 53.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.755 0.312 . . . . 0.0 110.571 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.507 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 78.23 1.97 82.17 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.507 ' NE2' ' O ' ' A' ' 60' ' ' GLY . 81.5 mm-40 -136.42 162.53 32.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.859 0.362 . . . . 0.0 110.567 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.9 t -122.24 128.42 75.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.569 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 50.8 p30 -91.59 162.15 14.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.596 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -52.47 -35.46 52.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.614 -179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -62.17 -45.29 94.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.569 -178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 91.5 mt-10 -68.04 -36.4 79.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -71.22 -51.2 26.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.857 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.645 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.5 p -63.35 -49.38 83.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.914 -177.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.645 ' N ' HG13 ' A' ' 68' ' ' VAL . 14.8 ptmt -59.81 -43.35 94.53 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.454 -179.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.699 ' O ' HG23 ' A' ' 74' ' ' VAL . 83.8 mmm -66.4 -35.92 81.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.483 179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 5.8 mmt -60.73 -35.28 75.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.645 -179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.5 mtm -75.92 -44.9 38.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.985 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.9 m -60.36 -26.91 66.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.424 -179.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.699 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t -65.14 -10.52 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.561 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.1 mmm180 -46.93 -19.05 0.09 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.525 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 74' ' ' VAL . . . 136.62 16.32 0.8 Allowed Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -101.83 3.77 52.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.527 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 160.22 -77.95 0.17 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' HA2' HG22 ' A' ' 74' ' ' VAL . . . 60.93 -73.55 0.01 OUTLIER Glycine 0 CA--C 1.522 0.526 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 128.08 -173.23 18.98 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -81.49 -45.16 16.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.878 0.37 . . . . 0.0 110.739 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.22 -49.78 9.13 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 -179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.2 m95 -57.2 -40.72 78.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.736 0.303 . . . . 0.0 110.386 179.324 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 57.8 p -65.89 -34.18 77.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.6 mtt180 -62.67 -44.11 97.1 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.77 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.432 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 9.2 mp -69.12 -36.8 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.621 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.549 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -79.12 -14.76 58.92 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.701 -179.869 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 -75.96 -46.44 29.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.362 178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 64.3 tttp -139.86 93.75 2.69 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.383 179.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.432 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 0.1 OUTLIER -106.46 -175.15 2.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.014 0.435 . . . . 0.0 110.397 179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.411 ' H ' ' HD1' ' A' ' 90' ' ' PHE . 51.0 m -139.85 152.38 46.45 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.586 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 91' ' ' SER . 23.8 p . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.975 -1.012 . . . . 0.0 110.514 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . 0.652 'CA ' ' OD1' ' A' ' 19' ' ' ASP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.308 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.575 ' H ' ' CD2' ' A' ' 2' ' ' HIS . 7.2 p80 -88.87 104.8 17.27 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.761 0.315 . . . . 0.0 110.421 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 3.9 mmt -93.61 103.9 16.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.139 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -98.46 104.46 16.49 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.274 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.4 p -136.38 148.39 47.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.559 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 37.0 p30 -66.68 -28.96 68.87 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.391 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.538 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -46.96 -55.62 7.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.306 -179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -51.06 -41.76 60.11 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.134 0.492 . . . . 0.0 110.674 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -63.59 -39.74 95.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.216 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.7 tt0 -59.71 -48.31 82.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.424 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 54.8 mt -58.01 -43.91 86.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.018 -179.006 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.9 ttmt -65.86 -50.48 64.38 Favored 'General case' 0 C--O 1.238 0.478 0 C-N-CA 120.333 -0.547 . . . . 0.0 111.125 179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.404 ' O ' HG23 ' A' ' 17' ' ' VAL . 97.6 mt-10 -59.6 -47.56 85.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.54 -179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.41 -46.15 87.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.288 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -53.16 -47.32 68.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.187 -179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -63.75 -34.47 77.95 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.626 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 13' ' ' GLU . 70.9 t -70.63 -44.99 76.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.952 0.406 . . . . 0.0 110.983 179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -65.38 -43.8 89.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.82 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 42.3 t0 -80.4 72.22 7.26 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.452 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -60.66 -44.45 96.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.074 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.439 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 1.8 m-20 -70.42 -3.17 16.33 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.091 -0.504 . . . . 0.0 109.78 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.402 ' CG ' ' O ' ' A' ' 21' ' ' ASP . 2.2 pt20 40.85 30.99 0.11 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 110.792 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 44.0 p-10 -77.89 -7.14 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.584 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.16 -21.18 40.6 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.414 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 3.6 m-85 -128.63 141.24 51.41 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.153 0.502 . . . . 0.0 110.701 -179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 93.5 mt -90.41 138.77 18.78 Favored 'Isoleucine or valine' 0 C--O 1.236 0.362 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.231 179.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -110.57 -169.18 1.41 Allowed 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.241 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -82.91 -39.22 21.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.78 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.533 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.03 -40.79 86.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.696 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.439 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 77.8 mt-10 -66.27 -43.34 86.71 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.119 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.58 -43.64 98.49 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.347 -179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.7 ttt180 -63.05 -43.93 97.27 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.495 179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.533 ' ND1' ' O ' ' A' ' 29' ' ' SER . 26.8 m80 -58.93 -43.29 91.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.487 -179.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 72.8 t -64.78 -43.55 96.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.397 -179.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.6 mmt -61.23 -42.39 98.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.386 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.4 mm -66.87 -43.84 89.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.567 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.3 t30 -60.07 -29.33 68.49 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.987 -179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 91' ' ' SER . 88.0 mt -82.07 5.16 20.35 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.792 179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.95 19.77 71.99 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -112.89 128.62 56.51 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.983 0.42 . . . . 0.0 109.991 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.439 ' C ' HD12 ' A' ' 42' ' ' LEU . 89.1 mttt -110.14 99.92 8.91 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.615 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.9 mp -104.03 -174.42 2.54 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 -179.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.59 150.43 30.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.338 0.59 . . . . 0.0 110.603 -179.592 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 50.2 t0 -54.33 -39.56 67.17 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.202 -179.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -57.12 -40.25 76.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.358 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.74 -40.5 95.41 Favored 'General case' 0 C--O 1.24 0.586 0 CA-C-O 121.257 0.551 . . . . 0.0 110.458 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.38 -50.15 81.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -59.96 -43.38 95.08 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.178 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.9 mm-40 -52.33 -39.22 60.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.127 0.489 . . . . 0.0 109.798 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 98.7 mtp -71.78 -38.99 70.23 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.574 -0.451 . . . . 0.0 110.339 178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 4.5 mm -65.56 -48.66 81.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.998 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.5 pttm -63.57 -42.67 98.3 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.031 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 51.2 tp10 -62.55 -45.0 94.93 Favored 'General case' 0 N--CA 1.441 -0.916 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.994 -178.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.78 -43.05 66.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -75.29 126.19 30.5 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.725 -179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.576 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.9 mm? -91.93 -2.63 56.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.546 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 18.6 p-10 -126.69 7.35 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.5 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.99 49.96 6.21 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.43 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 23.3 p-10 -94.16 2.34 55.97 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.758 0.313 . . . . 0.0 110.568 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.26 11.72 68.03 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 99.5 mm-40 -133.71 119.46 19.35 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.921 0.391 . . . . 0.0 110.412 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.0 t -95.15 123.57 47.34 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.177 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.566 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 9.1 t-20 -85.82 161.8 18.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.518 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.566 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 84.8 t80 -53.08 -42.29 65.73 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.244 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 82.6 mt-10 -62.71 -44.44 96.22 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.976 0.417 . . . . 0.0 110.551 -179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -62.86 -37.98 89.03 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.529 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.489 ' CE2' ' SD ' ' A' ' 71' ' ' MET . 63.6 t80 -65.5 -45.09 84.95 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.786 179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.72 -70.04 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.343 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.933 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -44.58 -37.75 3.79 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.615 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 71.1 mmm -66.57 -41.98 87.76 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.818 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.541 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.6 OUTLIER -61.04 -28.23 68.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.151 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.439 ' HA ' ' HE ' ' A' ' 75' ' ' ARG . 51.9 mtm -89.99 -58.69 2.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.969 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.2 m -45.1 -31.6 1.45 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.568 -178.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.628 HG13 ' N ' ' A' ' 75' ' ' ARG . 10.7 p -61.17 -46.84 95.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 C-N-CA 120.639 -0.424 . . . . 0.0 110.465 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.628 ' N ' HG13 ' A' ' 74' ' ' VAL . 29.7 ptt180 -91.81 125.68 36.61 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.088 0.47 . . . . 0.0 110.548 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 62.76 31.61 80.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -152.61 -45.94 0.02 OUTLIER Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 152.29 -103.04 0.23 Allowed Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.214 -0.754 . . . . 0.0 111.214 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.61 162.01 37.39 Favored Glycine 0 N--CA 1.462 0.4 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.68 -162.38 14.39 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 27.0 p30 -87.25 -30.89 20.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.986 0.422 . . . . 0.0 110.748 179.705 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.535 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -70.25 -53.58 13.43 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.336 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.77 -40.88 80.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.915 0.388 . . . . 0.0 110.035 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.8 t -60.65 -42.79 97.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 74.9 mtp85 -62.34 -40.73 97.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.737 179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 52.0 tp -67.96 -39.41 83.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.021 0.439 . . . . 0.0 110.778 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.2 OUTLIER -76.5 -19.3 58.13 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.514 -179.6 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 51.7 mtp85 -72.49 -49.51 32.55 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.061 179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -138.64 90.02 2.42 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.425 179.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.6 ' CD1' ' N ' ' A' ' 91' ' ' SER . 28.1 t80 -79.77 163.4 24.48 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.6 ' N ' ' CD1' ' A' ' 90' ' ' PHE . 6.2 t -15.55 -77.59 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.898 0 O-C-N 124.142 0.901 . . . . 0.0 111.304 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 18.8 p . . . . . 0 C--N 1.326 -0.441 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.164 178.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.355 0 N-CA-C 109.572 -1.411 . . . . 0.0 109.572 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 67.8 m-70 52.85 77.94 0.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.803 0.335 . . . . 0.0 110.516 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.0 mtp -86.94 132.8 33.69 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.499 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 5' ' ' THR . 50.4 t0 -155.91 156.97 35.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.353 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.419 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 35.3 p -91.55 96.85 10.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.035 0.445 . . . . 0.0 110.739 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -54.18 -29.56 46.29 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.242 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.94 -55.6 30.68 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.265 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -51.91 -52.71 48.01 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.133 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -60.55 -39.85 89.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.415 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.7 tt0 -59.67 -52.63 64.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.4 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 HD21 ' HG2' ' A' ' 71' ' ' MET . 78.8 mt -55.07 -44.54 74.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.275 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -71.28 -54.99 8.97 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.519 -0.472 . . . . 0.0 111.455 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -56.25 -52.42 64.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.547 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.59 -47.77 81.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.458 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -51.96 -46.31 64.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.358 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -63.91 -35.0 79.23 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.673 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 79.7 t -68.33 -42.79 84.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.821 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 9.9 m-85 -67.81 -42.66 81.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.65 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 65.5 t0 -80.14 63.94 4.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.464 -179.535 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.47 ' CG ' ' N ' ' A' ' 21' ' ' ASP . 55.8 pttt -53.54 -43.48 68.43 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.057 -179.694 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.47 ' N ' ' CG ' ' A' ' 20' ' ' LYS . 10.2 m-20 -63.03 -20.29 65.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.819 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 39.7 tt0 59.82 45.6 12.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.266 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 23' ' ' ASN . 19.1 p-10 -101.88 -36.04 8.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.581 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.472 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 121.0 20.64 3.34 Favored Glycine 0 N--CA 1.466 0.636 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.472 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.2 m-85 -155.79 154.13 30.9 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.659 0.266 . . . . 0.0 110.478 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 91.6 mt -112.59 147.94 15.97 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.16 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 76.1 p -126.66 -175.17 3.32 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.487 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -71.57 -42.0 68.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.85 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.6 p -61.11 -37.42 82.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.537 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -66.81 -43.45 83.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.563 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.35 -43.89 97.76 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.009 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -63.45 -41.24 98.65 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.422 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.512 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.5 -41.39 98.79 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-O 121.057 0.456 . . . . 0.0 110.472 -179.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.5 t -67.53 -42.78 87.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.196 -178.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.417 ' SD ' ' OE1' ' A' ' 40' ' ' GLU . 18.8 mmt -64.45 -39.41 93.76 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.821 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -68.45 -44.9 82.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -63.12 -25.89 68.57 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.736 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.5 mt -82.27 4.32 24.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.639 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.34 25.42 61.38 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.961 -0.855 . . . . 0.0 110.961 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.417 ' OE1' ' SD ' ' A' ' 35' ' ' MET . 76.1 tt0 -120.26 135.35 55.03 Favored 'General case' 0 CA--C 1.518 -0.288 0 CA-C-O 120.968 0.413 . . . . 0.0 110.376 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -112.43 101.18 9.38 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.76 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.424 ' CD2' ' NH1' ' A' ' 85' ' ' ARG . 12.9 mt -111.8 147.28 36.03 Favored 'General case' 0 N--CA 1.467 0.375 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.476 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.5 p -75.86 152.85 37.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.583 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -54.31 -28.87 45.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.094 -179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -61.51 -42.11 98.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.221 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.502 ' OE1' ' NH2' ' A' ' 85' ' ' ARG . 80.3 mm-40 -61.86 -39.88 93.42 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 110.4 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.6 t -63.91 -48.92 84.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.594 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -58.84 -43.55 90.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.125 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -58.76 -38.31 78.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.3 0.571 . . . . 0.0 110.532 179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.9 mtp -67.07 -42.23 85.08 Favored 'General case' 0 C--N 1.319 -0.731 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.92 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 97.6 mt -67.65 -51.47 50.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.366 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.516 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 40.9 pttt -55.18 -44.68 75.5 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.057 0.456 . . . . 0.0 110.489 -178.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.516 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 70.4 mm-40 -62.87 -49.2 75.81 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.233 -178.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.468 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -67.93 -46.08 72.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.219 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.429 ' C ' HD22 ' A' ' 56' ' ' LEU . 83.3 m-20 -69.68 127.76 34.07 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.02 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.566 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.1 mm? -95.6 -10.15 30.27 Favored 'General case' 0 CA--C 1.515 -0.38 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.4 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 26.7 p-10 -120.04 4.56 10.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.643 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 43.83 52.14 6.77 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -83.73 -17.42 41.32 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.78 0.324 . . . . 0.0 110.686 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 101.51 -5.68 54.9 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.9 pt20 -134.62 138.67 44.72 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.083 0.468 . . . . 0.0 110.38 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.9 t -93.21 125.63 45.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.283 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -84.48 156.64 21.64 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.188 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -51.68 -43.79 62.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.418 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -61.45 -44.19 97.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.963 0.411 . . . . 0.0 110.448 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -61.41 -37.65 84.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.307 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -66.0 -48.33 71.54 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.075 0.464 . . . . 0.0 110.659 179.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.1 t -58.24 -64.46 0.54 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.351 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.06 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.7 pttp -47.66 -43.22 26.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.389 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.49 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 74.2 mmm -62.22 -42.98 99.8 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.537 -179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.403 ' HG2' HD21 ' A' ' 11' ' ' LEU . 43.8 tpp -59.09 -29.56 67.44 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.183 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 mmt -82.7 -54.5 5.09 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.627 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -43.92 -27.3 0.34 Allowed 'General case' 0 C--O 1.233 0.189 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.525 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 70' ' ' MET . 43.7 t -59.53 -46.31 93.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.383 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -91.28 119.34 31.25 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.246 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.01 -63.54 0.3 Allowed Glycine 0 N--CA 1.463 0.487 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -99.33 -57.41 0.95 Allowed Glycine 0 CA--C 1.521 0.447 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 88.66 150.9 22.44 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 158.43 90.44 0.08 OUTLIER Glycine 0 CA--C 1.521 0.438 0 N-CA-C 111.111 -0.796 . . . . 0.0 111.111 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 149.89 117.94 0.87 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 54.3 t-20 -75.21 -42.75 54.88 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-O 121.186 0.517 . . . . 0.0 110.248 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.86 -40.02 26.96 Favored Glycine 0 CA--C 1.527 0.799 0 N-CA-C 110.73 -0.948 . . . . 0.0 110.73 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 92.0 m95 -64.09 -43.96 93.8 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.0 p -62.92 -37.86 88.71 Favored 'General case' 0 C--O 1.243 0.746 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.114 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.502 ' NH2' ' OE1' ' A' ' 46' ' ' GLU . 85.2 mtm180 -65.54 -40.11 92.52 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.569 178.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 4.3 tt -69.08 -31.6 70.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.179 0.514 . . . . 0.0 109.982 179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 87' ' ' ARG . 3.2 tpm_? -62.57 -68.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.829 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 58.9 ttm-85 -51.75 -35.72 44.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.193 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -45.97 -38.57 7.82 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.937 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.79 -82.7 0.17 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.759 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 22.7 m -157.32 143.7 17.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.629 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 117.957 -1.02 . . . . 0.0 110.535 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 60.2 m80 -66.47 -40.81 89.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.778 0.323 . . . . 0.0 110.555 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 71.9 mtm -46.76 -84.96 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.527 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' N ' ' OD1' ' A' ' 4' ' ' ASP . 32.8 p-10 -176.89 76.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.381 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 m -105.28 113.51 27.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.121 0.486 . . . . 0.0 110.578 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 9' ' ' GLU . 90.5 m-20 -73.47 -35.76 65.74 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.231 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' A' ' 6' ' ' ASP . . . -33.63 -53.01 0.42 Allowed 'General case' 0 N--CA 1.465 0.308 0 O-C-N 123.548 0.53 . . . . 0.0 110.349 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -54.33 -50.1 68.2 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.33 179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 6' ' ' ASP . 41.2 tt0 -65.16 -41.16 94.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.273 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 69.4 tt0 -58.64 -46.88 86.15 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.187 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.568 HD21 ' SD ' ' A' ' 71' ' ' MET . 69.2 mt -59.84 -43.82 94.4 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.657 -179.287 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.6 mttp -70.48 -54.97 10.14 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.16 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.16 -52.39 65.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.955 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' GLU . . . -56.58 -44.85 81.44 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-O 121.297 0.57 . . . . 0.0 110.511 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -60.34 -38.22 83.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 34.3 ttmt -68.23 -37.11 80.47 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.242 -0.436 . . . . 0.0 112.164 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.3 m -84.38 -25.99 7.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.203 -179.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -45.4 93.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.754 -179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.485 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 20.2 t70 -83.14 86.2 7.06 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.263 -179.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt -60.73 -45.75 93.07 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.319 -179.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.7 p-10 -63.22 -22.44 66.87 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.26 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.502 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 36.3 tt0 62.59 33.9 15.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.433 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.485 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 19.4 p-10 -78.09 -4.48 47.54 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.466 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.66 -17.52 59.15 Favored Glycine 0 N--CA 1.463 0.446 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.405 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 7.6 m-85 -133.34 140.38 47.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.862 0.363 . . . . 0.0 110.536 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -79.04 139.85 17.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.438 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 p -125.48 -163.38 1.2 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.403 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.411 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -81.68 -36.22 29.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.755 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 77.8 p -60.45 -50.22 74.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.834 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 60.1 mp0 -68.31 -42.2 79.74 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.977 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 31' ' ' LEU . 31.6 tp -61.78 -45.4 94.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.369 -179.285 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.523 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 54.1 ttm-85 -65.21 -41.1 94.82 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.944 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' CD2' ' O ' ' A' ' 29' ' ' SER . 21.5 m-70 -61.17 -40.6 94.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.988 0.423 . . . . 0.0 110.73 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 77.0 t -68.74 -41.67 82.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.722 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 8.1 mmt -62.36 -39.62 93.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.632 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.4 mm -70.22 -43.09 78.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.094 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -61.39 -28.13 69.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.26 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.9 mt -78.03 8.17 5.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.741 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.07 27.97 71.14 Favored Glycine 0 CA--C 1.52 0.406 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 46.3 tp10 -118.22 140.77 49.31 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.831 0.348 . . . . 0.0 110.166 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -117.09 98.7 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.102 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 51.3 mt -103.13 -171.85 2.01 Favored 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 116.218 -0.446 . . . . 0.0 109.893 -179.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.23 150.67 33.97 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.034 -179.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.523 ' OD1' ' NH2' ' A' ' 32' ' ' ARG . 19.2 m-20 -53.67 -38.09 63.84 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.163 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -54.58 -43.05 71.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.436 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -58.55 -38.02 76.93 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.476 0.655 . . . . 0.0 110.522 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.411 HG11 ' HB1' ' A' ' 28' ' ' ALA . 73.1 t -69.2 -41.26 81.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.039 179.717 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -64.54 -49.23 72.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.612 -178.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -62.54 -35.41 79.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.457 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 75.7 mtp -66.91 -42.81 84.83 Favored 'General case' 0 C--O 1.232 0.132 0 C-N-CA 120.79 -0.364 . . . . 0.0 111.205 179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -81.04 -20.15 11.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.8 ttmt -81.64 -42.21 20.33 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.911 -0.315 . . . . 0.0 110.441 179.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 54' ' ' ALA . 15.5 pt-20 -79.09 -39.67 33.16 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.025 -178.519 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 53' ' ' GLU . . . -65.84 -47.27 75.53 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.726 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.469 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 62.2 t0 -72.56 135.56 45.62 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.64 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -103.65 -7.25 20.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.437 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.64 ' N ' HD12 ' A' ' 56' ' ' LEU . 22.2 p30 -116.1 0.4 12.96 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.48 51.03 7.99 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' CG ' ' OD1' ' A' ' 57' ' ' ASP . 27.8 p30 -99.9 5.41 45.34 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.665 0.269 . . . . 0.0 110.371 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.43 4.25 50.76 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 69.8 mt-30 -129.97 113.13 14.21 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-O 120.907 0.384 . . . . 0.0 110.426 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.3 t -83.61 126.7 40.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.181 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -89.3 153.6 20.75 Favored 'General case' 0 C--N 1.334 -0.102 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.471 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 52.0 t80 -50.78 -39.93 53.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.487 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -63.3 -46.52 86.35 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.687 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.566 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.3 mt-10 -58.81 -38.2 78.08 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.294 0.569 . . . . 0.0 110.419 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -67.99 -46.84 70.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.057 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 54.5 t -57.28 -52.42 56.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -178.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HG3' ' N ' ' A' ' 70' ' ' MET . 16.0 ptpt -61.49 -37.68 84.54 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.508 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.2 mmm -66.35 -46.88 75.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.832 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.568 ' SD ' HD21 ' A' ' 11' ' ' LEU . 11.7 ttm -59.98 -32.48 70.87 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.444 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 62.0 mtt -70.31 -45.71 65.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.952 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 26.8 m -64.15 -32.88 74.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.73 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 70' ' ' MET . 41.9 t -57.6 -52.92 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.788 -179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 70.9 ttt-85 -84.6 112.51 20.5 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.006 -0.368 . . . . 0.0 110.006 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.22 -56.81 0.48 Allowed Glycine 0 CA--C 1.523 0.545 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -96.09 -57.04 1.17 Allowed Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.211 -0.755 . . . . 0.0 111.211 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 83.13 116.81 0.57 Allowed Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -158.27 51.04 0.41 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.19 129.06 1.35 Allowed Glycine 0 CA--C 1.526 0.759 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 64.3 t-20 -76.47 -43.47 39.68 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.37 0.605 . . . . 0.0 110.635 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.23 -46.85 25.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -57.09 -41.53 79.07 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.8 -0.445 . . . . 0.0 109.8 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 58.1 m -62.39 -38.92 91.5 Favored 'General case' 0 C--O 1.238 0.457 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.193 179.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -63.7 -42.62 97.96 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.834 179.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 48.9 tp -68.68 -36.95 79.19 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.161 0.505 . . . . 0.0 110.385 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.9 -17.18 59.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.602 -0.727 . . . . 0.0 110.8 -179.674 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -78.38 -45.54 22.17 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.72 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.0 mtmm -78.39 1.07 23.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.747 -179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -95.71 41.57 1.1 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.147 0.499 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 80.3 p -137.05 71.22 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.472 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.547 179.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.631 -1.388 . . . . 0.0 109.631 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.2 m-70 -79.33 -17.91 53.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.954 0.407 . . . . 0.0 110.364 -179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.5 mtp -95.08 173.34 7.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.01 0.433 . . . . 0.0 110.479 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -118.16 95.68 5.0 Favored 'General case' 0 CA--C 1.52 -0.186 0 CA-C-O 121.059 0.457 . . . . 0.0 110.426 179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.407 HG22 ' H ' ' A' ' 7' ' ' ALA . 10.8 m -107.3 135.86 48.1 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.559 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -60.7 -36.39 78.68 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.006 -179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' H ' HG22 ' A' ' 5' ' ' THR . . . -43.84 -57.76 3.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.313 -179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -52.38 -47.35 66.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.309 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.561 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.572 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 40.2 tt0 -59.28 -50.48 73.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.462 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 23.9 mt -55.15 -45.77 75.69 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.569 -179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.8 mtpt -68.12 -52.23 37.27 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.548 -0.461 . . . . 0.0 111.03 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 66.1 mm-40 -56.85 -51.46 68.92 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.273 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -46.09 83.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.154 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -52.54 -43.92 65.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.998 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -62.85 -34.05 76.53 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.312 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 75.3 t -68.94 -44.05 81.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.519 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.2 m-85 -73.63 -41.46 62.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.532 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 26.1 t0 -80.05 62.21 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.72 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.601 ' NZ ' HG22 ' A' ' 34' ' ' VAL . 59.1 mttp -58.88 -44.87 91.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.644 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 48.3 p30 -70.09 -11.3 60.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.554 179.711 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.417 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 98.7 mt-30 52.14 27.98 5.06 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.709 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 52.8 p-10 -83.43 -7.24 59.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.594 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.2 10.84 81.87 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 64.4 m-85 -146.96 118.78 8.09 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.3 mt -84.46 138.41 19.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 44.9 t -125.91 155.32 41.47 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.668 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -39.75 -39.16 0.74 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 12.0 t -59.14 -46.32 88.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.899 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -68.51 -44.42 74.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.812 179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -61.75 -44.92 95.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.602 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.1 ttp180 -61.89 -45.13 95.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.678 179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 -57.09 -40.92 77.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.658 -179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.601 HG22 ' NZ ' ' A' ' 20' ' ' LYS . 70.6 t -65.64 -41.15 89.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.73 179.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -62.13 -41.41 98.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.65 -178.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 48.1 mm -68.09 -43.98 84.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.394 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -59.07 -31.24 68.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.168 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 85.2 mt -80.77 5.41 15.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.695 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.23 25.54 68.32 Favored Glycine 0 CA--C 1.519 0.322 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -121.48 139.78 53.04 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-O 120.819 0.342 . . . . 0.0 110.516 -179.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 63.2 tttm -126.81 109.91 12.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.999 0.428 . . . . 0.0 110.405 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 2.9 mp -113.6 162.97 15.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.558 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -76.36 148.69 37.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.705 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -50.8 -31.32 16.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.227 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -60.37 -39.89 88.84 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.518 179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -60.99 -41.65 96.89 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.314 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -63.27 -46.56 95.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.298 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.03 -48.06 81.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.243 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -54.56 -38.13 66.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.203 0.525 . . . . 0.0 110.409 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 74.2 mtp -70.13 -42.61 72.37 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.909 0.385 . . . . 0.0 111.042 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -65.62 -45.73 91.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.678 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.524 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 33.3 pttt -61.21 -45.57 94.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.203 -179.341 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.0 mm-40 -60.31 -50.48 73.47 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.539 -0.755 . . . . 0.0 109.808 -178.704 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.443 ' HB2' ' HG3' ' A' ' 70' ' ' MET . . . -68.58 -43.5 76.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.037 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.459 ' OD2' ' O ' ' A' ' 61' ' ' GLN . 1.1 m-20 -76.04 126.44 31.0 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.016 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.503 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.4 OUTLIER -101.59 -3.19 28.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.912 0.387 . . . . 0.0 110.02 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 30.7 p-10 -122.01 2.44 9.9 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.508 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 53.12 6.81 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 110.83 -0.908 . . . . 0.0 110.83 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -84.09 -10.45 57.8 Favored 'General case' 0 CA--C 1.519 -0.238 0 CA-C-O 121.072 0.463 . . . . 0.0 110.633 -179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.8 -8.49 63.6 Favored Glycine 0 CA--C 1.52 0.404 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.459 ' O ' ' OD2' ' A' ' 55' ' ' ASP . 3.2 pt20 -137.73 149.9 46.85 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.15 0.5 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.71 129.45 44.89 Favored 'Isoleucine or valine' 0 C--O 1.236 0.35 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -89.45 157.17 18.23 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.478 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -51.7 -47.54 63.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.477 -179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 84.3 mt-10 -57.71 -41.23 81.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.762 0.315 . . . . 0.0 110.454 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -64.94 -35.95 82.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.251 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 87.5 t80 -65.24 -48.46 73.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.137 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.5 t -58.53 -48.18 86.22 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.484 -179.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 pttp -58.35 -36.01 72.8 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.233 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.562 ' O ' HG12 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -66.47 -42.45 87.49 Favored 'General case' 0 C--O 1.222 -0.343 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.381 -178.377 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.08 -31.15 71.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.408 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.415 ' O ' ' N ' ' A' ' 75' ' ' ARG . 65.6 mtt -86.89 -62.28 1.54 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.567 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.533 ' O ' ' N ' ' A' ' 78' ' ' GLY . 14.3 m -47.01 -38.1 10.31 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.923 -179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' O ' ' A' ' 70' ' ' MET . 9.9 p -69.58 -17.37 21.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.978 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' N ' ' O ' ' A' ' 72' ' ' MET . 83.2 mtp180 -101.29 87.3 3.19 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.792 -179.652 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.08 -24.8 11.7 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 111.472 -0.651 . . . . 0.0 111.472 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -78.03 -42.34 16.21 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 150.66 -99.28 0.19 Allowed Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 87.6 162.38 37.81 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.39 -158.53 11.8 Favored Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 89.8 m-20 -92.33 -28.97 16.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.879 0.371 . . . . 0.0 110.685 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.77 -52.51 9.49 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 111.122 -0.791 . . . . 0.0 111.122 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.498 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 93.6 m95 -58.71 -42.32 88.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.797 0.332 . . . . 0.0 110.205 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 6.1 t -63.96 -39.05 93.26 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.196 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.8 tpt180 -60.57 -44.98 95.59 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.467 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.446 ' HA ' ' HZ2' ' A' ' 89' ' ' LYS . 1.5 tt -69.37 -40.58 77.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.886 179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.572 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.3 OUTLIER -70.23 -17.6 63.13 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.866 179.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -84.55 -46.44 11.57 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.949 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.446 ' HZ2' ' HA ' ' A' ' 86' ' ' LEU . 19.5 pttm -79.05 -6.0 55.36 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.845 -179.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -72.04 -78.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.217 -179.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 85.9 p 49.03 -124.94 2.0 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 11.5 p . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.518 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.378 0 N-CA-C 109.594 -1.403 . . . . 0.0 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 3.1 p80 -79.04 -17.82 54.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.84 0.352 . . . . 0.0 110.559 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 24.5 mmt 45.55 73.25 0.17 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.453 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -75.94 118.19 18.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -56.22 92.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.542 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -58.37 -43.52 88.45 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.261 -179.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.21 -56.35 19.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.591 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -56.22 -51.96 66.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.443 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 82.8 tt0 -57.29 -45.41 84.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.012 0.434 . . . . 0.0 110.371 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.492 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 1.0 OUTLIER -61.86 -49.08 77.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.201 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.839 HD21 HG22 ' A' ' 68' ' ' VAL . 3.4 tp -57.37 -48.78 78.15 Favored 'General case' 0 N--CA 1.44 -0.964 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.149 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -64.06 -48.06 77.71 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.612 -177.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.458 ' OE2' ' O ' ' A' ' 9' ' ' GLU . 0.3 OUTLIER -61.52 -47.45 85.53 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.502 179.703 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.13 -45.26 91.38 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.934 -0.576 . . . . 0.0 109.974 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 94.3 t80 -55.85 -43.37 77.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.59 -33.21 73.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.345 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.5 t -72.95 -43.38 59.35 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.239 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.428 ' CE1' HG11 ' A' ' 34' ' ' VAL . 35.4 m-85 -63.37 -44.45 94.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.542 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.516 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.0 t0 -80.44 68.83 6.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.493 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -58.36 -42.61 87.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.4 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 15.9 m-20 -66.62 -15.78 63.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.103 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 57.21 32.56 21.92 Favored 'General case' 0 C--N 1.334 -0.093 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.779 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -94.91 1.81 55.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.594 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.516 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 79.83 14.06 81.43 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.92 -0.872 . . . . 0.0 110.92 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -140.9 140.73 34.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.655 0.264 . . . . 0.0 110.393 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.7 mt -108.05 132.14 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 t -110.64 -162.87 0.82 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.46 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.509 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.71 -35.06 21.07 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.625 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.488 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 47.0 t -58.84 -45.69 89.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.702 -178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 97.0 mt-10 -71.48 -43.85 65.82 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.04 179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.4 tp -62.14 -46.88 87.06 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.447 ' NH1' ' OD1' ' A' ' 44' ' ' ASP . 9.8 tpt180 -63.49 -43.79 96.23 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.585 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.488 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.3 OUTLIER -58.2 -41.7 84.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.44 -178.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 30' ' ' GLU . 74.1 t -66.13 -41.6 89.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.541 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -60.72 -41.65 95.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.22 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 38.6 mm -67.46 -43.0 87.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.677 179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -59.8 -30.59 69.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.196 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.0 mt -77.0 5.32 8.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.835 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.99 21.32 76.48 Favored Glycine 0 CA--C 1.52 0.364 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -113.22 133.48 55.05 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.666 0.27 . . . . 0.0 110.357 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -111.47 99.19 8.01 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.141 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.633 HD22 HH11 ' A' ' 85' ' ' ARG . 42.2 mt -103.8 -173.1 2.23 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.976 -179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.45 153.36 30.07 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.963 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.447 ' OD1' ' NH1' ' A' ' 32' ' ' ARG . 99.6 m-20 -52.25 -41.21 62.62 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.179 179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -52.77 -42.77 65.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.46 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -61.44 -40.89 96.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.955 0.407 . . . . 0.0 110.497 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.509 HG11 ' HB1' ' A' ' 28' ' ' ALA . 58.6 t -62.0 -47.25 94.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.589 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -62.48 -47.91 81.94 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.33 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 90.0 mm-40 -53.68 -39.12 64.87 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.37 0.605 . . . . 0.0 110.304 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 96.9 mtp -71.36 -42.08 68.92 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.295 179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.3 mt -66.7 -45.17 88.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.288 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.466 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.3 pttp -62.59 -43.1 99.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.976 0.417 . . . . 0.0 110.257 -179.103 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.466 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 63.0 mm-40 -61.19 -47.69 84.96 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.881 -178.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.416 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -71.33 -40.72 70.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.914 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 65.9 t0 -73.71 118.91 17.22 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.508 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.476 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -100.96 -8.17 22.68 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.579 179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -112.94 3.61 16.36 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.519 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.428 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 46.2 51.5 11.47 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 30.4 p-10 -96.43 5.58 50.57 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.789 0.328 . . . . 0.0 110.514 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.86 2.11 80.67 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 70.1 mt-30 -137.16 161.72 35.39 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 18.6 t -113.38 130.25 67.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.314 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.951 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.8 HD22 ' H ' ' A' ' 65' ' ' GLU . 1.1 t30 -89.27 157.02 18.38 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.536 -179.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.6 ' CE1' HG21 ' A' ' 68' ' ' VAL . 29.0 t80 -50.4 -49.69 53.85 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.561 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.8 ' H ' HD22 ' A' ' 63' ' ' ASN . 20.8 pt-20 -57.16 -40.45 77.28 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.905 0.383 . . . . 0.0 110.755 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.404 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -64.39 -38.93 92.77 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.379 0.609 . . . . 0.0 110.223 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -64.77 -47.94 76.31 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.698 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.839 HG22 HD21 ' A' ' 11' ' ' LEU . 96.0 t -59.51 -68.85 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.078 -179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.414 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.9 ptmt -42.33 -39.22 2.07 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.549 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.713 ' O ' HG23 ' A' ' 74' ' ' VAL . 69.1 mmm -63.84 -42.63 97.56 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.137 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.482 ' CE ' ' HE ' ' A' ' 87' ' ' ARG . 59.2 mmm -64.21 -29.86 70.94 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.664 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -75.35 -51.42 13.21 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.059 179.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 23.4 m -61.72 -30.34 70.7 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.505 -179.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 70' ' ' MET . 38.8 t -61.32 -39.95 84.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.388 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 95.5 mtt-85 -63.74 147.9 50.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.216 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.41 -39.76 2.85 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.653 -0.979 . . . . 0.0 110.653 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 154.84 -30.93 0.67 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -55.05 -176.4 0.14 Allowed Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.715 -0.954 . . . . 0.0 110.715 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 94.3 160.21 34.36 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.36 -157.1 7.19 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 32.6 m120 -91.55 -32.01 15.7 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 120.944 0.402 . . . . 0.0 110.696 179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -48.6 13.78 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 179.64 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.45 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 93.8 m95 -62.9 -44.73 95.3 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.871 0.367 . . . . 0.0 110.129 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 53.4 m -62.68 -36.88 84.31 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.249 179.716 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.633 HH11 HD22 ' A' ' 42' ' ' LEU . 43.4 ttm180 -61.96 -43.0 99.75 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.317 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.413 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 22.3 tp -70.07 -43.83 70.37 Favored 'General case' 0 C--O 1.216 -0.663 0 CA-C-O 121.21 0.529 . . . . 0.0 110.306 179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.492 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -69.36 -16.0 63.43 Favored 'General case' 0 C--N 1.317 -0.848 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.788 -179.599 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -74.57 -45.66 43.94 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 7.8 tttm -139.61 91.64 2.5 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.857 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 54.1 t80 -161.09 -69.4 0.06 Allowed 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.984 0.421 . . . . 0.0 110.491 179.244 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.0 p -73.11 169.29 17.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.366 -179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--O 1.221 -0.442 0 CA-C-O 117.976 -1.012 . . . . 0.0 110.621 -179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.32 0 N-CA-C 109.399 -1.48 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -150.8 -166.92 2.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.629 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 67.6 mtt -45.07 -25.82 0.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.563 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.8 p-10 -63.27 150.64 42.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.515 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.6 p -92.37 133.94 35.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -61.48 -37.47 83.75 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.23 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.1 -58.12 3.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.417 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -48.98 -41.69 35.11 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.919 0.39 . . . . 0.0 110.41 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.7 tp10 -65.04 -39.59 93.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.537 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.6 tt0 -59.11 -51.12 71.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.314 -179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.458 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.2 mp -59.27 -41.42 88.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.252 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt -64.94 -51.11 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.539 -0.465 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -56.26 -51.85 66.63 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.43 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.74 -47.91 81.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.928 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.2 t80 -51.46 -46.36 63.05 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.811 -0.356 . . . . 0.0 110.219 -179.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -61.49 -34.52 75.61 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.55 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.3 t -67.05 -42.44 88.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.773 179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 41.6 m-85 -69.26 -40.95 77.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.575 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.509 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 38.9 t0 -85.04 54.3 3.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.639 -179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -55.99 -42.38 76.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.317 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.46 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 51.4 p30 -71.83 -9.63 58.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.614 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.509 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.4 mm-40 51.53 36.83 17.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.659 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.46 ' ND2' ' OD2' ' A' ' 21' ' ' ASP . 53.1 p-10 -88.72 -8.69 54.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.503 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 83.57 14.76 72.67 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -152.88 120.18 5.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.602 0.239 . . . . 0.0 110.505 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 74.5 mt -82.51 139.58 17.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.405 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.226 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.8 t -119.82 155.02 33.39 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.615 -179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -48.16 -41.29 26.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.467 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 11.0 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.549 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 63.3 mt-10 -66.35 -42.17 88.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.462 179.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.649 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.9 tt -63.17 -45.2 92.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.281 0.562 . . . . 0.0 110.391 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -60.39 -44.14 95.96 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.401 179.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -58.94 -40.59 85.07 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-O 121.11 0.481 . . . . 0.0 110.219 -178.621 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 42.2 t -64.09 -42.21 94.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.859 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 21.2 mmt -62.51 -40.94 98.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.525 -179.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -66.33 -44.14 91.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.714 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -27.31 66.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.984 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.6 mt -79.47 3.66 17.94 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.943 179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.55 24.71 69.63 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -117.46 135.6 53.79 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.725 0.298 . . . . 0.0 110.43 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -118.49 101.49 8.19 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.226 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.6 mp -109.34 -167.21 1.18 Allowed 'General case' 0 CA--C 1.516 -0.349 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.568 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.452 ' O ' ' HG3' ' A' ' 46' ' ' GLU . 0.2 OUTLIER -111.09 144.72 39.77 Favored 'General case' 0 C--O 1.214 -0.767 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.295 -179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -51.84 -24.16 5.76 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-O 120.956 0.408 . . . . 0.0 110.831 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.83 -40.43 92.77 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' OE1' ' SD ' ' A' ' 50' ' ' MET . 1.4 pp20? -62.56 -40.98 98.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.052 0.453 . . . . 0.0 111.011 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' GLU . 54.9 t -64.09 -47.77 88.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.054 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.37 -43.87 96.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.588 -179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 24.7 mt-30 -59.96 -35.93 76.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.624 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.559 ' SD ' ' OE1' ' A' ' 46' ' ' GLU . 92.4 mtp -71.47 -42.41 68.17 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.096 179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.2 mt -68.54 -47.9 74.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.094 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.485 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.7 ptmt -63.01 -43.41 98.81 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.966 0.412 . . . . 0.0 110.526 -179.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 31.2 tp10 -68.06 -40.43 82.76 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.1 -179.142 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -76.09 -48.61 20.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.284 -178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.7 135.38 48.26 Favored 'General case' 0 C--O 1.222 -0.387 0 CA-C-O 121.668 0.747 . . . . 0.0 110.518 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.84 ' CD1' ' H ' ' A' ' 56' ' ' LEU . 0.0 OUTLIER -104.61 -4.49 22.48 Favored 'General case' 0 C--N 1.304 -1.375 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.222 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 10.1 p-10 -115.81 -2.82 12.29 Favored 'General case' 0 CA--C 1.517 -0.325 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.0 54.87 8.97 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.513 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 16.9 p-10 -108.08 8.79 28.35 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-O 120.711 0.291 . . . . 0.0 110.458 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 63.02 11.97 40.97 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -125.04 110.31 14.01 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.756 0.312 . . . . 0.0 110.711 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -85.92 119.3 34.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.451 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -84.33 159.41 20.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.689 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 82.6 t80 -53.07 -37.68 61.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 90.6 mt-10 -63.34 -46.38 86.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.024 0.44 . . . . 0.0 110.613 -179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.65 -35.03 76.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.321 0.582 . . . . 0.0 110.191 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.584 ' CZ ' ' SD ' ' A' ' 71' ' ' MET . 88.2 t80 -68.19 -46.23 71.23 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.6 179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.8 t -58.49 -55.68 21.13 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.834 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.419 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.2 pttm -56.94 -38.99 73.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.047 -179.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.812 ' O ' HG23 ' A' ' 74' ' ' VAL . 4.3 mmt -62.86 -44.42 96.17 Favored 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.504 -179.452 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.584 ' SD ' ' CZ ' ' A' ' 67' ' ' PHE . 0.6 OUTLIER -64.49 -29.08 70.13 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.58 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 65.9 mtt -85.23 -61.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.737 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 78' ' ' GLY . 25.4 m -44.55 -26.7 0.39 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.436 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.812 HG23 ' O ' ' A' ' 70' ' ' MET . 21.8 t -61.61 -46.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.634 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -91.35 122.94 34.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.35 -179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.14 -40.28 1.91 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.22 -45.71 11.12 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 111.191 -0.764 . . . . 0.0 111.191 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 73' ' ' THR . . . 142.71 -100.47 0.25 Allowed Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.801 -0.92 . . . . 0.0 110.801 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 102.7 164.55 26.12 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.97 -155.03 27.06 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.796 -0.922 . . . . 0.0 110.796 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.408 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 16.1 p30 -89.63 -37.56 14.55 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.215 0.531 . . . . 0.0 110.661 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.408 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -69.32 -60.73 4.94 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.786 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.543 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 96.1 m95 -51.57 -39.05 57.09 Favored 'General case' 0 C--O 1.237 0.446 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 31.6 m -59.09 -36.86 75.84 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.189 -0.459 . . . . 0.0 109.803 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -69.92 -38.36 76.22 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.491 178.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.7 tp -65.69 -24.52 67.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.288 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.537 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 3.5 tpm_? -92.73 -61.75 1.53 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.95 -179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.66 -47.08 10.52 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.339 -179.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.8 ptpt -45.85 -21.01 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.147 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -101.74 51.11 0.84 Allowed 'General case' 0 CA--C 1.518 -0.257 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.129 -179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 95.8 p -80.1 -6.84 58.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.741 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.6 t . . . . . 0 C--O 1.22 -0.451 0 CA-C-O 117.955 -1.022 . . . . 0.0 110.528 -179.997 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -61.47 -46.85 88.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.797 0.332 . . . . 0.0 110.565 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 79.7 mmm -65.02 -42.78 94.1 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -172.0 -83.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.504 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -111.24 133.81 53.3 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.476 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -56.86 -42.3 79.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.461 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.62 -59.11 3.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -48.79 -44.18 38.8 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.518 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -64.79 -39.57 93.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.533 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 73.2 tt0 -59.87 -54.02 51.09 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.635 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.431 HD21 ' SD ' ' A' ' 71' ' ' MET . 54.0 mt -59.86 -41.63 91.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.492 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.5 tptm -66.95 -53.69 29.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.248 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 72.9 mt-10 -57.82 -50.55 72.9 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.54 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.96 -47.59 82.49 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.356 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -53.14 -45.59 68.46 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.392 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -63.33 -35.65 81.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.626 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 76.3 t -70.35 -44.09 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.427 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 5.6 m-85 -62.47 -45.48 92.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.918 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -94.55 70.17 3.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.579 -179.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -54.09 -31.18 51.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.284 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 39.6 p-10 -78.77 -11.55 59.99 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.323 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.416 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.7 tp60 47.18 35.98 4.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.772 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 21.1 p-10 -70.37 -18.78 63.06 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.482 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 118.81 -26.1 7.71 Favored Glycine 0 N--CA 1.463 0.491 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.628 ' CD2' ' NE2' ' A' ' 61' ' ' GLN . 14.1 m-85 -137.59 144.02 41.79 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.663 0.268 . . . . 0.0 110.537 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.1 mt -81.47 137.52 21.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.357 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 42.9 t -110.64 154.78 23.33 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.996 0.427 . . . . 0.0 110.507 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.12 -44.14 52.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.558 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 47.8 t -57.04 -46.37 82.46 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.573 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 98.5 mt-10 -65.51 -40.75 93.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.583 179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.669 HD23 ' O ' ' A' ' 31' ' ' LEU . 3.0 tt -62.48 -45.8 91.38 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 121.422 0.629 . . . . 0.0 110.586 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -59.37 -46.39 88.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.499 179.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.588 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.71 -41.14 73.37 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.257 -178.66 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.588 HG23 ' CE1' ' A' ' 33' ' ' HIS . 46.5 t -63.32 -41.25 92.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.977 -179.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.442 ' SD ' HD12 ' A' ' 42' ' ' LEU . 22.8 mmt -62.0 -42.74 99.48 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.822 -178.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 44.5 mm -66.14 -41.64 89.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.436 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -60.09 -29.46 68.6 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.257 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 88.8 mt -80.86 1.12 32.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.828 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.28 22.52 67.71 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.839 -0.905 . . . . 0.0 110.839 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -105.86 125.66 51.25 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.42 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -91.37 86.8 6.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.45 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD12 ' SD ' ' A' ' 35' ' ' MET . 57.2 mt -114.31 140.1 48.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.395 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.452 HG22 ' H ' ' A' ' 44' ' ' ASP . 4.4 m -85.8 166.04 16.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.535 -179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.452 ' H ' HG22 ' A' ' 43' ' ' THR . 49.5 t0 -53.79 -38.11 64.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.28 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -47.69 -47.3 29.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.51 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' THR . 42.3 mp0 -57.71 -38.42 75.21 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-O 121.466 0.65 . . . . 0.0 110.712 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 80.4 t -70.56 -38.35 73.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.858 179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.55 -49.95 67.01 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.135 -178.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -61.91 -32.9 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.608 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 89.3 mtp -70.26 -43.17 71.05 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.966 179.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.46 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.4 mt -68.02 -47.44 78.82 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.377 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.973 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 15.7 pttm -62.39 -46.01 90.56 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.905 0.384 . . . . 0.0 110.285 -179.505 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 30.0 tt0 -63.88 -46.11 86.37 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.579 -178.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.78 -46.84 43.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.687 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.46 ' CB ' ' O ' ' A' ' 51' ' ' ILE . 50.4 t0 -68.57 130.84 44.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.432 -179.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.4 mt -108.58 -8.29 15.52 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.641 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 21.3 p30 -116.27 -6.38 11.82 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.521 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.438 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.8 54.6 6.66 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 50.0 p-10 -82.88 -9.59 59.24 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.813 0.339 . . . . 0.0 110.466 -179.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.02 -13.47 52.56 Favored Glycine 0 N--CA 1.463 0.498 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.628 ' NE2' ' CD2' ' A' ' 25' ' ' TYR . 15.5 pt20 -140.52 152.64 45.73 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.903 0.382 . . . . 0.0 110.567 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.1 t -86.85 126.05 40.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.574 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.23 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 74.3 m-20 -85.97 156.91 20.27 Favored 'General case' 0 CA--C 1.523 -0.089 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.502 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -53.46 -46.99 70.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.502 -179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -60.63 -43.45 97.52 Favored 'General case' 0 C--O 1.238 0.461 0 CA-C-O 120.983 0.42 . . . . 0.0 110.727 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.473 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 95.3 mt-10 -60.79 -34.58 74.72 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.478 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -68.63 -44.68 73.7 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.032 0.444 . . . . 0.0 110.696 179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 75.8 t -59.06 -54.91 27.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.058 -178.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' HZ3' ' HB2' ' A' ' 69' ' ' LYS . 9.6 ptmm? -57.55 -39.2 76.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.747 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.81 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -60.8 -44.12 97.26 Favored 'General case' 0 C--O 1.221 -0.401 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.574 -179.663 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.431 ' SD ' HD21 ' A' ' 11' ' ' LEU . 33.2 ttm -66.28 -27.01 67.6 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.627 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 23.5 mmt -84.34 -63.31 1.36 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.886 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 24.2 m -44.16 -25.2 0.21 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.528 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 70' ' ' MET . 24.0 t -60.9 -43.41 95.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.628 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -61.75 142.82 57.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.194 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 89.41 -21.46 28.69 Favored Glycine 0 CA--C 1.52 0.384 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.65 51.51 0.75 Allowed Glycine 0 N--CA 1.465 0.594 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -128.58 19.5 5.6 Favored Glycine 0 N--CA 1.465 0.567 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.421 ' HA3' HG22 ' A' ' 74' ' ' VAL . . . -105.07 166.37 14.59 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.6 -159.83 29.04 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -82.51 -40.38 21.11 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 121.02 0.438 . . . . 0.0 110.83 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.14 -52.5 11.01 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.485 ' CG ' ' SD ' ' A' ' 70' ' ' MET . 81.5 m95 -57.6 -41.99 82.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.827 0.346 . . . . 0.0 110.161 179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 11.4 t -61.66 -39.25 90.7 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.245 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -63.12 -42.11 99.48 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.842 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.443 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 20.1 tp -70.74 -43.89 67.92 Favored 'General case' 0 C--O 1.216 -0.679 0 CA-C-O 121.331 0.586 . . . . 0.0 110.451 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -69.57 -14.76 63.01 Favored 'General case' 0 C--N 1.32 -0.693 0 O-C-N 122.151 -0.343 . . . . 0.0 111.285 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -81.13 -44.08 18.45 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 123.606 0.566 . . . . 0.0 109.889 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -138.97 87.58 2.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 109.924 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.58 ' CG ' ' N ' ' A' ' 91' ' ' SER . 46.4 t80 -154.33 168.32 27.0 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.868 0.366 . . . . 0.0 110.728 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.58 ' N ' ' CG ' ' A' ' 90' ' ' PHE . 6.9 m -176.36 -103.99 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.651 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.2 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.401 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.358 0 N-CA-C 109.535 -1.426 . . . . 0.0 109.535 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 56.7 p-80 -97.46 31.03 2.65 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.711 0.291 . . . . 0.0 110.397 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.532 ' O ' ' C ' ' A' ' 4' ' ' ASP . 78.8 mtp -79.04 139.26 38.19 Favored 'General case' 0 CA--C 1.51 -0.581 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.048 -179.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' C ' ' O ' ' A' ' 3' ' ' MET . 97.4 m-20 -19.23 -90.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.859 0.724 . . . . 0.0 111.242 -179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.5 p -105.92 131.6 53.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.171 0.51 . . . . 0.0 110.758 178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 45.6 p-10 -70.67 -33.6 71.1 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.672 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -39.2 -54.2 1.81 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.94 0.4 . . . . 0.0 110.601 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 34.9 mp0 -53.65 -39.7 65.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.365 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' ASP . 37.4 tp10 -64.92 -42.91 94.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.151 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -58.17 -46.32 85.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.332 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.13 -43.88 97.86 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.464 -179.159 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -66.96 -52.71 39.6 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.083 0.468 . . . . 0.0 111.483 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.531 ' O ' HG13 ' A' ' 17' ' ' VAL . 80.8 mm-40 -58.92 -54.22 49.58 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.65 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -55.46 -43.92 75.92 Favored 'General case' 0 C--O 1.221 -0.42 0 CA-C-O 121.43 0.633 . . . . 0.0 110.359 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.446 ' CE1' ' OD2' ' A' ' 19' ' ' ASP . 10.8 t80 -60.01 -31.81 70.29 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 121.982 -0.449 . . . . 0.0 110.246 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -70.44 -37.26 74.34 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.037 0.446 . . . . 0.0 111.438 -178.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.531 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.9 OUTLIER -75.88 -28.98 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 -179.696 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.187 -178.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.446 ' OD2' ' CE1' ' A' ' 15' ' ' PHE . 54.1 m-20 -71.08 82.73 0.69 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.755 -179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 48.4 tttp -57.44 -48.38 79.3 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 15.3 p30 -63.89 -22.03 66.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.103 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.527 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 48.0 tp60 66.5 46.52 1.86 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.579 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 32.9 p30 -103.56 -36.32 7.98 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.138 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.579 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 127.2 -28.11 4.63 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -107.7 124.77 50.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 117.076 0.438 . . . . 0.0 110.16 179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -81.68 147.36 6.22 Favored 'Isoleucine or valine' 0 C--O 1.238 0.449 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.094 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 10.0 p -124.13 -167.76 1.69 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.431 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -79.67 -39.86 30.41 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.521 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 78.9 p -59.78 -43.57 94.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.517 -179.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 99.2 mt-10 -68.46 -43.29 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.622 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.609 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.8 tt -61.31 -44.09 97.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.217 0.532 . . . . 0.0 110.061 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 73.3 ttt-85 -63.63 -40.86 97.94 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.103 179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.521 ' CD2' ' O ' ' A' ' 29' ' ' SER . 26.2 m-70 -60.0 -41.46 92.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.481 -179.464 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 79.0 t -65.45 -42.56 93.63 Favored 'Isoleucine or valine' 0 C--O 1.244 0.796 0 CA-C-O 121.27 0.557 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 22.2 mmt -62.51 -40.32 96.36 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.201 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -68.65 -43.8 82.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -55.26 -26.78 42.13 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 77.4 mt -84.61 7.4 20.32 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.304 179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 65.41 32.88 84.95 Favored Glycine 0 CA--C 1.519 0.287 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -136.99 79.9 1.78 Allowed 'General case' 0 C--O 1.223 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 111.286 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 ttpt -65.35 120.58 13.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.042 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -106.52 -170.71 1.76 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.432 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.49 145.3 30.49 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 121.148 0.499 . . . . 0.0 110.406 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -52.64 -34.02 49.54 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.82 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.39 -43.46 79.3 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.561 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -59.99 -40.96 90.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.72 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.8 t -64.14 -46.59 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.65 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -61.76 -47.61 84.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.5 -179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.72 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 87.5 mm-40 -57.18 -40.23 76.91 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.433 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -68.11 -42.95 79.48 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.939 -0.305 . . . . 0.0 111.049 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.8 mt -67.95 -47.78 77.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.494 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.72 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.5 pttt -60.83 -45.53 94.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.364 -179.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.512 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 15.1 tt0 -65.28 -43.62 90.6 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.701 -0.682 . . . . 0.0 109.59 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.472 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -69.98 -47.7 61.18 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.678 -178.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' C ' HD12 ' A' ' 56' ' ' LEU . 97.9 m-20 -68.85 129.35 39.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.023 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.556 ' N ' HD12 ' A' ' 56' ' ' LEU . 9.0 mp -97.11 -10.93 25.05 Favored 'General case' 0 CA--C 1.52 -0.189 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.209 179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 20.7 p-10 -114.53 5.46 15.52 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.54 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.36 49.67 14.69 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.0 p-10 -101.76 8.73 41.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.713 0.292 . . . . 0.0 110.451 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.01 7.24 8.19 Favored Glycine 0 CA--C 1.519 0.291 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -120.22 106.72 12.19 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.947 0.403 . . . . 0.0 110.819 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -81.49 116.6 26.05 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.006 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.475 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 6.5 t-20 -83.61 157.62 22.2 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.409 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.475 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 39.7 t80 -53.27 -40.44 64.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.537 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -61.04 -45.13 96.01 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.453 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -62.64 -34.56 77.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.4 0.619 . . . . 0.0 110.444 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -69.85 -47.5 62.43 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.511 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.402 ' CG2' ' CZ ' ' A' ' 64' ' ' TYR . 55.8 t -59.29 -52.3 62.45 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.215 -178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.49 ' CG ' ' N ' ' A' ' 70' ' ' MET . 14.4 pttp -59.5 -43.67 93.29 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.371 -179.245 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.566 ' O ' HG23 ' A' ' 74' ' ' VAL . 72.1 mmm -63.96 -42.06 97.39 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.627 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.0 mmm -59.83 -33.61 71.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.445 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 37.5 mtm -79.15 -51.5 9.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.784 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 77' ' ' GLY . 25.7 m -48.58 -26.53 2.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 70' ' ' MET . 38.5 t -61.05 -45.96 97.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.552 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 54.8 ttp180 -76.65 82.83 3.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.149 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 134.01 23.27 0.7 Allowed Glycine 0 N--CA 1.466 0.635 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.444 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 75.62 170.86 29.32 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.24 -0.68 60.26 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -103.35 151.54 17.87 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -72.64 -155.51 2.83 Favored Glycine 0 CA--C 1.521 0.452 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -95.21 -30.0 14.23 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.017 0.437 . . . . 0.0 110.756 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.4 -52.53 8.48 Favored Glycine 0 CA--C 1.528 0.867 0 N-CA-C 111.201 -0.759 . . . . 0.0 111.201 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 87.2 m95 -58.18 -43.57 87.57 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.8 p -64.65 -34.79 79.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.289 179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.31 -44.1 95.93 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.519 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 33.8 tp -69.69 -39.01 77.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.383 179.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.21 -15.47 56.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.805 -179.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -64.64 -54.14 36.57 Favored 'General case' 0 C--N 1.317 -0.823 0 C-N-CA 120.628 -0.429 . . . . 0.0 109.986 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.564 ' O ' ' C ' ' A' ' 90' ' ' PHE . 64.0 mttp -57.99 -95.73 0.0 OUTLIER 'General case' 0 CA--C 1.509 -0.622 0 N-CA-C 108.996 -0.742 . . . . 0.0 108.996 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' C ' ' O ' ' A' ' 89' ' ' LYS . 9.7 m-85 10.6 -106.7 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.741 0 O-C-N 123.994 0.809 . . . . 0.0 111.057 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.1 t -148.2 138.69 22.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.949 0.404 . . . . 0.0 110.466 178.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.9 m . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.986 -1.006 . . . . 0.0 110.492 179.638 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.332 0 N-CA-C 109.51 -1.436 . . . . 0.0 109.51 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -65.32 -41.23 94.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 0.0 110.477 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 87.0 mmm -82.75 -158.48 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.412 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ASP . 39.5 p-10 -67.54 115.43 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.2 p -41.21 91.54 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.475 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 4' ' ' ASP . 98.4 m-20 -58.21 -49.18 77.98 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.451 -179.05 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.64 -58.91 4.37 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.835 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.524 ' OE1' ' N ' ' A' ' 8' ' ' GLU . 8.8 mp0 -53.82 -48.04 70.3 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.671 -179.609 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.56 -44.28 96.33 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.484 -179.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.539 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 41.0 tt0 -58.3 -47.96 82.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.769 -179.656 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.8 mt -60.7 -43.18 98.08 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.521 -179.066 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 38.1 mtpt -64.25 -49.08 73.28 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.1 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -55.82 -53.77 52.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.408 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.49 -46.4 88.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.289 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -54.17 -46.37 72.33 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.228 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -62.64 -33.65 75.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.412 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -73.16 -43.61 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.776 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.453 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 4.4 m-85 -61.64 -45.51 93.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.659 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.494 ' O ' ' NE2' ' A' ' 22' ' ' GLN . 48.4 t0 -80.98 71.85 7.97 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.895 -179.485 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -57.24 -41.34 79.41 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.133 -0.485 . . . . 0.0 109.892 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.457 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 12.1 m-20 -69.45 -15.21 63.23 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.279 179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.494 ' NE2' ' O ' ' A' ' 19' ' ' ASP . 98.7 mm-40 56.16 31.38 18.19 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.583 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 23' ' ' ASN . 0.1 OUTLIER -86.51 1.38 51.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.472 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.534 ' N ' HD22 ' A' ' 23' ' ' ASN . . . 91.65 -23.95 22.91 Favored Glycine 0 CA--C 1.521 0.425 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 16.9 m-85 -116.15 153.18 32.26 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 121.337 0.589 . . . . 0.0 110.605 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.31 134.33 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.33 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.5 p -106.36 -166.98 1.24 Allowed 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.503 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.5 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.08 -38.11 25.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.503 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.496 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 9.2 t -56.56 -44.35 80.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.517 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.457 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 95.7 mt-10 -70.07 -43.34 71.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.3 tt -60.42 -47.61 85.35 Favored 'General case' 0 C--O 1.244 0.784 0 CA-C-O 121.362 0.601 . . . . 0.0 110.348 -179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 68.4 ttt180 -61.88 -43.76 98.19 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.015 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 29' ' ' SER . 52.5 m170 -54.07 -41.31 68.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.921 0.391 . . . . 0.0 110.346 -179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.453 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 54.0 t -62.81 -41.52 92.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.174 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.406 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -60.7 -44.59 96.38 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.914 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 42.9 mm -66.42 -43.37 91.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 120.736 -0.386 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -60.18 -34.43 73.59 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.071 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 80.6 mt -84.07 0.83 46.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.605 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.23 25.1 60.02 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -106.49 123.72 48.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.83 0.348 . . . . 0.0 110.636 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 0.0 OUTLIER -102.59 93.66 5.24 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.326 -179.726 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.528 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.3 mp -110.26 145.67 36.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.494 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.8 p -74.81 154.94 38.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.618 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 40.2 p-10 -52.92 -36.84 60.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.479 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 13.9 pt-20 -57.66 -41.56 81.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.508 -179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' N ' ' CG ' ' A' ' 45' ' ' GLU . 47.1 mt-10 -60.26 -38.86 84.82 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.365 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.5 HG11 ' HB1' ' A' ' 28' ' ' ALA . 61.4 t -64.86 -45.98 93.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.593 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.19 -49.28 74.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.351 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 -54.17 -40.45 67.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.413 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.53 -39.88 94.58 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.601 179.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.8 mt -65.41 -43.44 94.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.824 179.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' A' ' 55' ' ' ASP . 99.7 mttt -61.51 -46.26 90.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.525 -178.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -59.25 -48.15 82.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.465 -179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.784 ' HB2' ' SD ' ' A' ' 70' ' ' MET . . . -72.77 -41.98 64.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.702 179.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.524 ' C ' HD22 ' A' ' 56' ' ' LEU . 67.2 t0 -78.67 125.86 29.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.42 -179.359 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 HD22 ' C ' ' A' ' 55' ' ' ASP . 4.4 mm? -107.33 -3.05 20.04 Favored 'General case' 0 CA--C 1.514 -0.427 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.866 179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.458 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 5.0 p-10 -116.74 -0.35 12.35 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.681 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.0 53.94 7.2 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.959 -0.857 . . . . 0.0 110.959 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 33.4 p-10 -91.28 -0.61 57.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.653 0.263 . . . . 0.0 110.48 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 88.18 -8.09 79.48 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.45 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 3.8 pt20 -137.9 155.23 49.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.094 0.473 . . . . 0.0 110.63 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.4 t -99.2 131.13 47.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.368 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -89.58 156.87 18.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.491 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.429 ' CE2' HG21 ' A' ' 68' ' ' VAL . 63.9 t80 -51.52 -47.79 63.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.491 -179.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 16.3 pt-20 -58.45 -40.76 83.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.409 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.8 mt-10 -66.12 -37.84 86.7 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.528 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -65.46 -47.12 77.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.559 179.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 HG21 ' CE2' ' A' ' 64' ' ' TYR . 75.8 t -61.05 -44.58 98.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.5 -44.49 96.97 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.538 -0.465 . . . . 0.0 110.602 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.784 ' SD ' ' HB2' ' A' ' 54' ' ' ALA . 0.0 OUTLIER -66.2 -40.49 90.42 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.782 -177.664 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.614 ' O ' HG12 ' A' ' 74' ' ' VAL . 7.5 mmt -68.78 -34.66 75.93 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.565 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 38.8 tpp -76.79 -50.1 14.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.584 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.503 ' C ' ' H ' ' A' ' 75' ' ' ARG . 25.0 m -62.62 -24.49 67.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.577 -179.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.614 HG12 ' O ' ' A' ' 71' ' ' MET . 1.6 p -47.44 -11.83 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.503 ' H ' ' C ' ' A' ' 73' ' ' THR . 23.1 mmt180 -107.13 150.8 26.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.553 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 94.02 -17.89 57.85 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 103.5 55.32 0.8 Allowed Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -136.52 13.18 4.0 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -97.48 152.53 20.0 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.58 -156.98 11.97 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -86.81 -39.39 15.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.085 0.469 . . . . 0.0 110.819 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -71.88 -52.32 12.22 Favored Glycine 0 CA--C 1.526 0.766 0 C-N-CA 120.856 -0.688 . . . . 0.0 111.45 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.64 ' NE1' ' SD ' ' A' ' 70' ' ' MET . 91.4 m95 -58.44 -42.89 88.37 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -61.57 -36.87 81.86 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.389 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 mmm180 -66.39 -41.58 89.12 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.147 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 54.3 tp -69.68 -41.39 75.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.306 179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.596 ' NH1' ' SD ' ' A' ' 71' ' ' MET . 2.5 tpt180 -78.21 -12.43 60.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.744 -178.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -63.64 -52.94 58.56 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.965 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 91' ' ' SER . 68.6 mttm -67.44 -101.64 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.005 178.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.472 ' C ' ' O ' ' A' ' 89' ' ' LYS . 2.0 m-85 28.66 37.33 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 121.23 0.538 . . . . 0.0 110.804 -179.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.537 ' N ' ' O ' ' A' ' 89' ' ' LYS . 10.2 t -50.83 -50.36 56.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.279 -178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.8 m . . . . . 0 C--O 1.219 -0.549 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.64 179.638 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.269 0 N-CA-C 109.544 -1.422 . . . . 0.0 109.544 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.456 ' O ' ' ND1' ' A' ' 2' ' ' HIS . 24.1 p80 -83.12 130.53 35.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.766 0.317 . . . . 0.0 110.533 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 72.4 mtm -63.49 -43.57 96.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.56 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.0 t0 60.37 74.98 0.43 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.65 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -56.66 97.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.653 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -56.76 -42.64 79.72 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.099 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.495 ' CB ' HH22 ' A' ' 75' ' ' ARG . . . -49.45 -59.36 3.81 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.435 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.4 mt-10 -56.81 -58.11 9.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.744 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.457 ' O ' ' OE2' ' A' ' 13' ' ' GLU . 43.9 tp10 -49.07 -50.22 37.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.429 -179.744 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.0 -50.04 75.01 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.882 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 39.1 tp -48.54 -57.02 6.8 Favored 'General case' 0 N--CA 1.441 -0.922 0 CA-C-O 120.737 0.303 . . . . 0.0 110.662 -179.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -62.7 -48.54 78.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.119 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' N ' ' OE1' ' A' ' 13' ' ' GLU . 0.2 OUTLIER -59.15 -50.46 73.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.49 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.05 -45.03 83.51 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.972 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE1' ' OD1' ' A' ' 19' ' ' ASP . 77.5 t80 -55.48 -44.26 76.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.265 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -62.0 -35.33 78.22 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.456 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.0 t -71.63 -41.96 71.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.574 179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.467 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 1.0 OUTLIER -62.83 -45.23 93.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.561 -179.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' OD1' ' CE1' ' A' ' 15' ' ' PHE . 4.2 m-20 -79.52 70.73 6.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.36 -179.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -55.17 -42.38 73.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.311 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.401 ' OD1' ' C ' ' A' ' 21' ' ' ASP . 41.8 p-10 -78.16 -2.84 39.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.53 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 27.1 pt20 39.5 40.14 0.57 Allowed 'General case' 0 N--CA 1.463 0.205 0 O-C-N 123.307 0.38 . . . . 0.0 110.95 179.351 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 48.4 p-10 -84.99 -5.98 59.34 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.352 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 87.25 12.02 68.41 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 24' ' ' GLY . 74.1 m-85 -154.6 124.61 6.73 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.78 0.324 . . . . 0.0 110.502 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.4 mt -83.01 136.34 23.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.678 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.485 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 40.2 t -118.9 -169.22 1.69 Allowed 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.391 179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.485 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -74.84 -42.91 57.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.781 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.1 p -57.0 -40.94 77.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.581 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 91.0 mt-10 -66.29 -44.67 82.86 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.731 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.576 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.5 tt -60.9 -45.95 92.56 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.074 0.464 . . . . 0.0 110.159 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -62.43 -44.86 95.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.334 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.456 ' ND1' ' O ' ' A' ' 29' ' ' SER . 21.6 m80 -56.66 -43.66 80.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.496 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.0 t -65.07 -41.27 91.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.543 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.481 ' SD ' HD22 ' A' ' 42' ' ' LEU . 19.0 mmt -60.5 -42.69 96.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.2 -179.172 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 mm -66.6 -43.32 90.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.885 0.374 . . . . 0.0 110.343 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -56.01 -33.26 64.72 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.916 -0.583 . . . . 0.0 109.762 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 86.2 mt -78.44 4.54 12.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.664 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 74.54 28.96 62.43 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.472 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 99.3 mt-10 -127.74 146.73 50.49 Favored 'General case' 0 C--O 1.225 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 110.56 -179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.528 ' C ' HD12 ' A' ' 42' ' ' LEU . 17.0 ptmt -120.57 108.78 14.46 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 HD12 ' N ' ' A' ' 42' ' ' LEU . 10.7 mp -106.4 151.73 24.53 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.162 0.506 . . . . 0.0 110.371 -179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.4 p -74.83 148.61 40.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.6 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' A' ' 48' ' ' GLU . 41.8 t0 -49.6 -35.22 20.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.282 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -57.28 -42.37 81.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.535 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.495 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.5 mm-40 -57.89 -41.32 82.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.592 0.71 . . . . 0.0 110.666 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.401 HG11 ' HB1' ' A' ' 28' ' ' ALA . 78.3 t -67.13 -42.81 88.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.788 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.53 ' N ' ' OE1' ' A' ' 48' ' ' GLU . 1.8 mp0 -64.52 -53.13 52.85 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.591 -178.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.495 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 14.2 pt20 -56.91 -37.42 71.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.461 -178.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 80.9 mtp -64.65 -41.71 95.93 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 120.888 0.375 . . . . 0.0 110.67 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 89.2 mt -64.91 -42.95 96.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.646 179.468 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 55' ' ' ASP . 55.0 mtpt -59.81 -45.53 92.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.104 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -58.92 -50.01 75.67 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.588 179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.65 -41.52 68.66 Favored 'General case' 0 C--O 1.224 -0.241 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.917 179.367 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.462 ' C ' HD22 ' A' ' 56' ' ' LEU . 65.0 t0 -79.32 122.68 26.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.511 -179.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 56' ' ' LEU . 4.3 mm? -101.48 -2.27 31.12 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.758 179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.92 3.19 9.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.631 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 42.86 46.42 6.05 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 p30 -79.33 -16.01 57.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 0.0 110.743 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 104.5 -7.62 46.75 Favored Glycine 0 N--CA 1.465 0.582 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -137.42 160.28 39.56 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.724 0.297 . . . . 0.0 110.381 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -116.39 131.32 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.378 -179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -92.3 163.89 13.72 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.33 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.831 ' O ' HG23 ' A' ' 68' ' ' VAL . 60.1 t80 -54.49 -33.3 59.53 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.717 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -63.63 -49.24 74.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.928 0.394 . . . . 0.0 111.034 -179.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -63.91 -33.3 75.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.39 0.614 . . . . 0.0 110.759 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -70.73 -45.94 63.96 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.668 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.831 HG23 ' O ' ' A' ' 64' ' ' TYR . 64.3 t -61.23 -54.09 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.22 -178.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 18.1 ptmt -57.21 -41.65 79.84 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.554 -179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.805 ' O ' HG23 ' A' ' 74' ' ' VAL . 63.1 mmm -61.04 -39.84 91.36 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.118 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 82.5 mmm -69.22 -30.64 68.85 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.946 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.4 mmt -73.66 -51.25 17.35 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.807 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 16.0 m -65.98 -27.02 67.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.553 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 70' ' ' MET . 4.8 t -59.13 -43.56 89.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.47 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.495 HH22 ' CB ' ' A' ' 7' ' ' ALA . 94.1 mtt180 -61.17 148.19 41.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.914 -179.183 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.65 -19.59 19.24 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.685 -0.966 . . . . 0.0 110.685 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 107.93 49.75 0.82 Allowed Glycine 0 N--CA 1.464 0.525 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -132.24 70.96 0.51 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -162.17 167.47 36.81 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.68 -158.35 0.47 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 29.9 m120 -93.15 -32.39 14.43 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-O 120.902 0.382 . . . . 0.0 110.567 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.93 -51.17 11.03 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.183 -0.767 . . . . 0.0 111.183 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -61.55 -45.21 95.11 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.953 0.406 . . . . 0.0 110.199 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.3 t -60.71 -36.55 79.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.252 179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -65.49 -42.06 92.6 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.611 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.482 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 37.9 tp -68.77 -40.23 79.81 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.98 0.419 . . . . 0.0 110.372 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.36 -13.93 57.8 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.801 -179.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.3 ttt180 -55.04 -69.34 0.13 Allowed 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 91' ' ' SER . 50.2 mtmt -56.5 -93.0 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.042 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 4.4 m-85 28.93 38.01 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 121.279 0.561 . . . . 0.0 110.804 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.52 ' N ' ' O ' ' A' ' 89' ' ' LYS . 17.8 m 49.35 -96.97 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.9 m . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.477 -179.692 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.09 -165.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.848 0.356 . . . . 0.0 110.498 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 9.4 tpp -60.58 170.63 1.35 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -53.7 -48.96 69.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.324 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.433 HG22 ' H ' ' A' ' 7' ' ' ALA . 25.6 m -124.8 136.43 53.82 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.418 . . . . 0.0 110.203 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.505 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 39.3 p-10 -62.63 -38.63 91.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.483 -179.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.505 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -56.89 -56.32 23.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.075 0.464 . . . . 0.0 110.62 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.49 -41.99 73.77 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.272 0.558 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -60.58 -45.84 92.44 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.633 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -55.2 -40.39 70.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.024 0.44 . . . . 0.0 109.974 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 10' ' ' GLU . 98.8 mt -60.92 -43.3 98.78 Favored 'General case' 0 CA--C 1.512 -0.516 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.936 -179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.2 mmtt -62.77 -48.78 77.68 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.644 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -58.79 -49.7 76.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.002 0.43 . . . . 0.0 110.191 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.86 -46.74 78.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.155 179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.5 t80 -53.24 -47.24 69.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.241 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -61.82 -36.44 81.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.297 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 80.4 t -68.83 -44.32 81.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.601 179.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.557 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.1 m-85 -66.08 -45.06 82.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.645 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.454 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 29.5 t0 -79.77 61.93 3.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.276 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.5 mmtp -56.64 -44.01 80.85 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.234 -178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 22.2 p30 -70.28 -18.97 63.13 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.477 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 0.6 OUTLIER 61.57 36.97 16.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.479 -179.809 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 51.2 p30 -86.04 -4.04 59.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.524 -179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 97.12 -29.65 10.35 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.119 -0.793 . . . . 0.0 111.119 179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.592 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 1.7 m-85 -126.25 133.54 51.44 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.117 0.484 . . . . 0.0 110.547 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 77.1 mt -74.98 142.24 14.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.563 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.477 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 6.9 t -112.96 176.66 4.92 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.687 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.477 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -67.43 -45.54 75.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.812 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.525 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.9 m -57.86 -44.41 86.57 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.338 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' OE1' ' OD2' ' A' ' 21' ' ' ASP . 44.1 mt-10 -65.7 -41.68 92.08 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.286 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.9 tt -62.1 -47.06 86.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.249 0.547 . . . . 0.0 110.048 -179.225 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.471 HH22 ' N ' ' A' ' 44' ' ' ASP . 56.0 ttm-85 -61.99 -44.18 97.28 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.414 179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 29' ' ' SER . 0.5 OUTLIER -56.95 -39.54 74.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.872 0.367 . . . . 0.0 110.61 -179.327 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.557 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 78.9 t -67.36 -42.69 87.76 Favored 'Isoleucine or valine' 0 C--O 1.239 0.547 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.743 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.431 ' SD ' HD12 ' A' ' 42' ' ' LEU . 13.2 mmt -61.63 -43.02 99.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.564 -179.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.4 ' N ' HD12 ' A' ' 36' ' ' ILE . 1.7 mp -71.18 -42.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-O 120.86 0.362 . . . . 0.0 110.216 179.369 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 84.3 m-20 -52.39 -26.28 12.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.72 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 93.7 mt -86.36 11.23 12.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.896 178.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 66.15 30.91 77.75 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -133.95 80.13 1.85 Allowed 'General case' 0 C--O 1.233 0.208 0 CA-C-O 120.835 0.35 . . . . 0.0 111.09 -179.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.422 ' HG3' ' H ' ' A' ' 41' ' ' LYS . 34.3 mttp -62.87 115.99 4.87 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.214 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.431 HD12 ' SD ' ' A' ' 35' ' ' MET . 96.7 mt -106.81 -171.11 1.83 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.434 179.636 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 p -107.38 145.32 33.05 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.416 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' N ' HH22 ' A' ' 32' ' ' ARG . 42.8 t0 -50.89 -32.67 21.23 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.14 179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -54.45 -44.93 72.95 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.508 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -57.94 -41.0 81.86 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.342 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 69.6 t -63.2 -47.41 92.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.739 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' A' ' 44' ' ' ASP . 3.4 mp0 -61.74 -49.79 75.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.892 0.377 . . . . 0.0 110.579 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.697 HE22 ' NZ ' ' A' ' 52' ' ' LYS . 96.0 mm-40 -55.97 -41.58 74.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.405 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 92.8 mtp -67.49 -43.5 80.78 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.815 0.34 . . . . 0.0 110.875 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.1 mt -67.75 -46.91 81.6 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.001 -179.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.697 ' NZ ' HE22 ' A' ' 49' ' ' GLN . 37.0 pttt -62.91 -47.69 82.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.049 0.452 . . . . 0.0 110.529 -179.277 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.548 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.7 tt0 -63.93 -45.33 89.71 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.46 -179.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -72.26 -48.51 42.0 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.813 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 62.8 t0 -60.94 122.06 13.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.301 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 77.6 mt -101.41 -21.41 14.82 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.502 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.461 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 26.0 p30 -101.95 0.03 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.702 179.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.502 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 48.79 41.34 27.45 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.434 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 34.4 p-10 -80.78 -20.29 42.92 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.75 0.309 . . . . 0.0 110.797 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 105.83 -10.56 44.95 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.916 -0.873 . . . . 0.0 110.916 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -132.23 139.72 48.41 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 120.891 0.377 . . . . 0.0 110.52 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.5 t -82.93 123.54 38.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.259 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -83.74 157.11 22.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.483 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 78.9 t80 -52.83 -43.19 65.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.536 -179.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 87.4 mt-10 -59.91 -44.95 93.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.096 0.474 . . . . 0.0 110.52 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -61.58 -36.96 82.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.719 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 62.4 t80 -65.8 -47.93 73.45 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.967 179.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -58.07 -60.17 2.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.861 -178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.45 ' HG3' ' N ' ' A' ' 70' ' ' MET . 1.4 ptpm? -53.37 -40.19 64.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.633 -179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.542 ' CE ' ' CD1' ' A' ' 83' ' ' TRP . 70.6 mmm -65.37 -44.81 86.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.734 -179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 70.1 mmm -59.45 -31.32 69.19 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.23 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 15.5 mmt -81.66 -52.47 7.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 22.4 m -44.98 -26.88 0.47 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.438 -179.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 70' ' ' MET . 41.7 t -60.13 -45.66 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.392 179.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.8 ttm-85 -91.82 116.7 29.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.16 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 86.36 37.42 8.95 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 171.73 -87.12 0.08 OUTLIER Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 146.7 140.36 3.43 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.768 -0.933 . . . . 0.0 110.768 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -120.06 -6.81 9.78 Favored Glycine 0 N--CA 1.463 0.478 0 N-CA-C 111.046 -0.821 . . . . 0.0 111.046 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 126.29 -160.51 20.69 Favored Glycine 0 N--CA 1.464 0.561 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.541 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 15.5 p30 -94.2 -36.56 11.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.919 0.39 . . . . 0.0 110.51 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.541 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -68.55 -61.06 4.97 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.31 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.542 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 91.3 m95 -56.57 -42.9 79.38 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.276 0.56 . . . . 0.0 109.879 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 10.4 t -55.25 -36.56 66.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.133 179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 88.4 mtt-85 -71.8 -36.96 70.45 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.788 178.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.545 ' O ' ' CB ' ' A' ' 90' ' ' PHE . 50.8 tp -64.89 -20.19 66.3 Favored 'General case' 0 CA--C 1.509 -0.612 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.054 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -100.52 -56.97 2.21 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.845 0.355 . . . . 0.0 111.102 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -40.17 -48.16 2.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.381 -178.527 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -128.23 88.94 2.83 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.607 179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CB ' ' O ' ' A' ' 86' ' ' LEU . 57.7 t80 -167.97 62.76 0.07 Allowed 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.616 179.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 84.1 p -141.48 159.1 42.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.2 p . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.582 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.514 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.489 2.225 0 N-CA-C 109.359 -1.497 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.514 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 29.9 p-80 41.03 -165.45 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.787 0.327 . . . . 0.0 110.785 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 5.6 tpt 52.02 13.09 0.23 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.993 0.425 . . . . 0.0 110.384 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.419 ' N ' ' C ' ' A' ' 2' ' ' HIS . 20.4 t0 -152.82 -22.13 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.526 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.9 p -59.58 100.76 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.42 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -56.98 -44.26 82.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.341 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -48.5 -58.61 4.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.466 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -55.67 -53.51 55.69 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.437 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -52.41 -46.65 66.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.135 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.501 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 38.7 tt0 -57.65 -47.43 82.28 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.188 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.99 -49.3 66.45 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.619 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' NZ ' ' OH ' ' A' ' 64' ' ' TYR . 18.1 mmtm -66.18 -51.65 55.7 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.355 -0.538 . . . . 0.0 110.944 -179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -56.94 -52.79 63.79 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.173 0.511 . . . . 0.0 110.461 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.42 -47.86 80.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.077 179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -52.79 -43.69 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.308 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -62.09 -35.06 77.53 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.629 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.1 t -68.03 -42.57 85.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.824 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -65.59 -43.69 88.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.632 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.462 ' OD2' ' N ' ' A' ' 24' ' ' GLY . 45.3 t0 -78.0 59.63 2.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.326 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -55.27 -44.42 75.62 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.467 -179.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.72 -24.74 65.41 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.461 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 71.71 38.17 1.0 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.348 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 51.7 p-10 -104.39 6.53 35.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.359 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' N ' ' OD2' ' A' ' 19' ' ' ASP . . . 70.1 20.87 76.77 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' CD2' ' O ' ' A' ' 23' ' ' ASN . 59.0 m-85 -144.55 144.09 31.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.568 0.223 . . . . 0.0 110.422 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 62.8 mt -112.05 135.84 50.11 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.082 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 72.1 m -123.26 155.11 37.83 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.399 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -40.84 -40.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.573 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.504 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 67.4 m -57.99 -49.21 77.59 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.652 -179.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' HG23 ' A' ' 34' ' ' VAL . 48.8 mt-10 -66.82 -43.13 84.6 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.178 0.513 . . . . 0.0 110.759 179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 31' ' ' LEU . 2.5 tt -62.24 -47.22 85.37 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.373 -179.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -61.42 -45.96 92.11 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.358 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.504 ' CD2' ' O ' ' A' ' 29' ' ' SER . 25.0 m-70 -55.52 -39.63 70.77 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.149 0.499 . . . . 0.0 110.663 -179.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 30' ' ' GLU . 70.8 t -67.35 -40.68 85.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.627 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mmt -62.94 -43.38 98.96 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.745 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.9 mm -67.46 -44.36 86.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.66 179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 90.7 m-20 -59.69 -30.87 69.08 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.927 -0.578 . . . . 0.0 109.979 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 37.6 mt -76.3 3.78 10.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.836 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.75 22.52 69.22 Favored Glycine 0 CA--C 1.521 0.411 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.402 ' O ' HD13 ' A' ' 36' ' ' ILE . 74.3 tt0 -118.55 134.73 54.87 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 109.835 -0.431 . . . . 0.0 109.835 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -107.79 101.27 10.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.043 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 13.8 mt -112.01 144.44 41.36 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.384 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -74.92 156.23 36.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.588 -179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 2.5 p30 -53.14 -36.63 61.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.392 -179.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.468 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 80.3 mm-40 -54.3 -45.07 72.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -58.75 -39.48 81.08 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.675 0.75 . . . . 0.0 110.536 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.2 t -70.11 -42.47 79.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.12 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.8 tt0 -64.15 -50.46 68.11 Favored 'General case' 0 N--CA 1.446 -0.667 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.446 -178.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -61.13 -36.83 80.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.511 -179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 78.0 mtp -63.52 -40.83 98.06 Favored 'General case' 0 C--O 1.237 0.427 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.525 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 94.5 mt -67.07 -43.39 88.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.874 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.03 -44.81 94.37 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.496 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -63.0 -44.67 95.38 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.637 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.408 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.77 -46.59 62.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.399 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -69.32 126.73 30.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.068 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.508 HD21 ' NZ ' ' A' ' 69' ' ' LYS . 11.1 mp -99.2 -10.69 22.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.224 179.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.422 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 28.3 p-10 -121.69 1.76 10.02 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.514 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 45.15 54.78 6.91 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.456 ' O ' ' NE2' ' A' ' 61' ' ' GLN . 37.9 p-10 -82.7 -16.91 46.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.591 0.234 . . . . 0.0 110.642 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 111.2 -12.44 28.77 Favored Glycine 0 N--CA 1.464 0.525 0 N-CA-C 111.123 -0.791 . . . . 0.0 111.123 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 59' ' ' ASP . 1.3 pm0 -139.81 155.51 47.22 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-O 120.99 0.424 . . . . 0.0 110.298 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.4 t -96.06 131.24 43.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -88.0 159.27 18.37 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.314 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.551 ' OH ' ' NZ ' ' A' ' 12' ' ' LYS . 78.0 t80 -51.16 -43.76 61.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.224 -179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -63.36 -44.4 94.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.006 0.431 . . . . 0.0 110.466 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 96.0 mt-10 -60.97 -38.95 87.75 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.507 0.67 . . . . 0.0 110.129 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -67.71 -45.33 75.38 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.719 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.7 t -59.19 -54.98 26.79 Favored 'Isoleucine or valine' 0 C--O 1.237 0.433 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.048 -178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' NZ ' HD21 ' A' ' 56' ' ' LEU . 15.8 ptmt -57.03 -35.98 69.91 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.875 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . . . . . . . . . 1.9 mmt -63.49 -44.29 94.78 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.309 -0.556 . . . . 0.0 110.556 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.411 ' O ' HG12 ' A' ' 74' ' ' VAL . 13.4 ttm -63.85 -27.61 69.28 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -91.43 -63.99 1.18 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.469 178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' GLY . 54.0 m -43.7 -32.1 0.93 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.658 -178.398 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.596 HG13 ' N ' ' A' ' 75' ' ' ARG . 13.9 p -62.53 -46.14 97.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.591 179.811 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.596 ' N ' HG13 ' A' ' 74' ' ' VAL . 79.4 ttt-85 -67.98 83.71 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.039 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 128.12 35.57 0.5 Allowed Glycine 0 N--CA 1.467 0.725 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.466 ' O ' ' O ' ' A' ' 73' ' ' THR . . . 91.95 158.72 34.76 Favored Glycine 0 CA--C 1.521 0.467 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.558 ' O ' ' N ' ' A' ' 80' ' ' GLY . . . 88.02 -132.12 11.03 Favored Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.522 -1.031 . . . . 0.0 110.522 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 56.95 -75.09 0.01 OUTLIER Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.558 ' N ' ' O ' ' A' ' 78' ' ' GLY . . . 140.45 -176.64 21.28 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -78.46 -41.82 31.62 Favored 'General case' 0 C--O 1.24 0.603 0 CA-C-O 121.499 0.666 . . . . 0.0 110.849 179.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -72.66 -44.73 38.55 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 99.0 m95 -60.68 -44.61 96.3 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.2 p -60.76 -37.73 82.82 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.981 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.421 ' NH1' HH12 ' A' ' 88' ' ' ARG . 16.2 tpt180 -64.04 -42.53 97.03 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.31 -0.556 . . . . 0.0 110.287 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 5.7 tt -67.04 -40.32 87.14 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.13 0.491 . . . . 0.0 110.702 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.501 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.86 -16.78 59.31 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.788 179.799 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.421 HH12 ' NH1' ' A' ' 85' ' ' ARG . 40.2 ttm180 -61.83 -59.61 4.88 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 -179.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.556 ' O ' ' C ' ' A' ' 90' ' ' PHE . 61.1 mttp -52.54 -92.65 0.0 OUTLIER 'General case' 0 CA--C 1.507 -0.675 0 CA-C-O 118.651 -0.69 . . . . 0.0 109.9 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' C ' ' O ' ' A' ' 89' ' ' LYS . 17.2 m-85 0.59 -105.16 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.826 0 O-C-N 124.587 1.179 . . . . 0.0 110.827 -179.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 9.2 m 45.82 -143.28 0.26 Allowed 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.528 178.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 48.6 p . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 118.105 -0.95 . . . . 0.0 110.657 -179.927 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.192 0 N-CA-C 109.573 -1.411 . . . . 0.0 109.573 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.41 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 30.0 t-80 -166.82 65.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.716 0.293 . . . . 0.0 110.651 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.447 ' O ' ' OD1' ' A' ' 4' ' ' ASP . 63.5 mtt -65.41 -41.61 93.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.57 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 6' ' ' ASP . 71.6 m-20 -154.2 161.07 42.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.629 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.5 p -48.34 91.41 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.484 ' N ' ' O ' ' A' ' 4' ' ' ASP . 32.3 t70 -56.73 -47.74 79.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.485 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.05 -58.4 6.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.703 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -49.74 -44.8 48.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -67.88 -38.73 83.41 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.53 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.535 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.5 tt0 -61.59 -55.51 29.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.928 -179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.452 ' N ' HD12 ' A' ' 11' ' ' LEU . 11.1 mp -62.58 -41.76 99.15 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.834 -179.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.1 ttmp? -64.17 -50.38 68.36 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.93 0.395 . . . . 0.0 111.381 -179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -60.96 -48.44 81.81 Favored 'General case' 0 C--O 1.239 0.535 0 CA-C-O 121.227 0.537 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.17 -48.17 82.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.621 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -56.64 -39.92 74.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.114 -179.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -61.71 -32.95 73.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.274 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.1 t -71.91 -42.15 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.72 178.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.462 ' CE1' HG11 ' A' ' 34' ' ' VAL . 42.8 m-85 -66.91 -43.93 82.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.671 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -78.87 65.93 4.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.529 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -58.26 -43.73 88.05 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.227 -179.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.427 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 8.1 m-20 -65.63 -13.55 59.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.218 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 22.8 mm100 57.51 32.15 21.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.776 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -96.24 6.0 49.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.573 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 81.59 -21.13 6.61 Favored Glycine 0 CA--C 1.52 0.351 0 N-CA-C 110.931 -0.867 . . . . 0.0 110.931 179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 31.5 m-85 -110.42 147.17 34.56 Favored 'General case' 0 CA--C 1.517 -0.294 0 CA-C-O 120.679 0.276 . . . . 0.0 110.563 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -110.61 135.13 50.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.402 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.145 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -103.51 -169.54 1.66 Allowed 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.584 -179.676 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.573 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -82.81 -38.69 22.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.618 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 50.3 m -57.19 -42.85 81.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.701 -179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 73.1 mt-10 -66.69 -43.67 83.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.928 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 35.7 tp -62.28 -46.12 90.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.468 -179.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 40.5 ttp180 -61.5 -45.9 92.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.467 179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.68 -41.46 81.63 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.541 -178.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG11 ' CE1' ' A' ' 18' ' ' PHE . 72.1 t -65.32 -41.41 91.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.362 179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.9 mmt -61.76 -42.23 98.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.421 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.87 -43.84 89.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.562 179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -58.81 -30.02 67.3 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.829 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 63.6 mt -81.21 3.54 23.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.712 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.52 24.56 62.66 Favored Glycine 0 CA--C 1.52 0.367 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.543 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 80.2 mm-40 -119.28 134.32 55.27 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.704 0.287 . . . . 0.0 110.464 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.508 ' C ' HD12 ' A' ' 42' ' ' LEU . 99.0 mttt -109.83 101.74 10.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.35 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.2 mp -106.9 145.9 31.65 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.393 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 HG22 ' OE1' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -80.88 156.54 26.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.516 -179.951 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -50.93 -39.32 54.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.494 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.459 ' H ' ' CD ' ' A' ' 45' ' ' GLU . 42.3 mp0 -53.13 -44.28 67.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.666 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 75.6 mm-40 -59.15 -40.64 86.17 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 121.455 0.645 . . . . 0.0 110.54 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG11 ' HB1' ' A' ' 28' ' ' ALA . 90.2 t -68.48 -40.04 81.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.709 179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -66.07 -51.15 60.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.358 -178.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.65 -27.89 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.085 0.469 . . . . 0.0 110.292 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.68 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 13.8 mmm -72.97 -44.76 60.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.744 178.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 92.6 mt -66.86 -46.29 85.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.144 -179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.517 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 6.0 ptmm? -62.44 -45.71 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 43.6 tp10 -61.17 -45.04 96.27 Favored 'General case' 0 N--CA 1.447 -0.606 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -179.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -71.63 -45.26 62.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.732 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 31.5 t70 -76.7 132.16 39.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.317 -179.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.896 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -106.61 -6.01 18.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.499 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.449 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 12.0 p30 -106.6 2.62 26.15 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.15 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.521 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 47.29 43.93 19.94 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 53.9 p-10 -91.78 -19.69 22.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.692 0.282 . . . . 0.0 110.448 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.455 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 91.07 -0.58 76.05 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -126.0 123.65 38.95 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.247 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.6 t -81.19 121.24 34.34 Favored 'Isoleucine or valine' 0 C--O 1.234 0.239 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.469 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.671 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 1.6 t-20 -86.94 157.61 19.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.492 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.671 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 67.9 t80 -53.81 -47.75 70.54 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.669 -179.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -60.51 -41.64 94.8 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 96.6 mt-10 -61.23 -35.42 77.19 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-O 121.176 0.512 . . . . 0.0 110.663 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -69.47 -43.93 72.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.188 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 70.3 t -60.32 -53.39 49.42 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.952 -178.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 70' ' ' MET . 15.6 ptpt -59.33 -38.27 79.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.787 -0.365 . . . . 0.0 110.6 -179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.796 ' O ' HG23 ' A' ' 74' ' ' VAL . 68.7 mmm -63.43 -42.01 98.7 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.822 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.9 ttm -68.64 -29.92 68.51 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.814 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.9 mmt -70.41 -46.08 64.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.2 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 37.0 m -72.63 -28.23 62.63 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.853 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 70' ' ' MET . 25.3 t -61.95 -16.16 15.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.594 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 74' ' ' VAL . 62.0 ttm-85 -38.63 117.53 0.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.204 -179.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 79.99 -66.41 3.6 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.616 -0.993 . . . . 0.0 110.616 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 177.32 62.42 0.06 OUTLIER Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -116.93 40.21 2.44 Favored Glycine 0 N--CA 1.465 0.595 0 N-CA-C 110.846 -0.901 . . . . 0.0 110.846 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -142.99 179.28 20.68 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -58.31 -161.44 0.05 OUTLIER Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.828 -0.909 . . . . 0.0 110.828 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 34.6 m120 -88.71 -29.61 19.72 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-O 121.115 0.483 . . . . 0.0 110.863 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -75.27 -41.21 31.75 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.474 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.68 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -65.79 -45.64 81.65 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 120.789 0.328 . . . . 0.0 110.161 -179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.6 t -62.1 -37.9 86.83 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.204 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 mmt85 -63.94 -42.51 97.31 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.021 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 43.3 tp -69.37 -38.87 78.26 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.446 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.535 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.96 -15.55 59.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.7 -179.065 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.5 ttt85 -74.81 -47.18 32.08 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.84 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.543 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 53.5 mtpt -78.06 10.03 3.23 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.654 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.506 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.3 m-85 -101.27 39.09 1.46 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.014 0.435 . . . . 0.0 110.336 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 90' ' ' PHE . 12.7 t 58.26 146.47 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.076 0.465 . . . . 0.0 110.622 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 39.3 p . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.969 -1.015 . . . . 0.0 110.51 -179.94 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.214 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.45 ' O ' ' O ' ' A' ' 3' ' ' MET . 63.9 m80 -86.2 172.97 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.561 0.219 . . . . 0.0 110.428 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.45 ' O ' ' O ' ' A' ' 2' ' ' HIS . 79.5 mtp 55.88 159.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.425 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -140.69 -105.25 0.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.474 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 34.2 p -71.01 89.78 0.81 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.042 0.449 . . . . 0.0 110.804 -179.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.437 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 64.7 t0 -61.32 -35.64 77.94 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.133 -179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -52.87 -55.92 19.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.374 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -51.88 -43.87 63.5 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -60.45 -40.78 92.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.378 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 81.7 tt0 -59.42 -48.23 82.42 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.161 -179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.57 -40.98 84.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.203 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.5 mptm? -68.75 -52.33 31.7 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 120.286 -0.566 . . . . 0.0 110.689 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 17' ' ' VAL . 96.9 mt-10 -57.98 -48.32 80.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.251 -179.473 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.96 -46.54 87.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.058 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 45.4 t80 -52.05 -46.44 65.09 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -179.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 30.4 ttmt -63.11 -33.32 75.2 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.549 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 13' ' ' GLU . 80.9 t -68.74 -43.05 83.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.356 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' O ' ' OE1' ' A' ' 30' ' ' GLU . 53.6 m-85 -72.69 -40.34 66.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.417 179.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -81.77 57.51 3.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.213 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.4 tttm -57.84 -44.37 86.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.577 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 43.4 p30 -67.7 -16.12 63.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.582 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.515 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 26.1 mt-30 57.96 32.14 21.56 Favored 'General case' 0 C--N 1.333 -0.114 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.757 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 50.7 p-10 -92.25 -3.04 56.07 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.503 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.49 11.4 85.52 Favored Glycine 0 CA--C 1.523 0.535 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.504 ' CD1' ' NE2' ' A' ' 61' ' ' GLN . 85.9 m-85 -141.56 115.94 9.51 Favored 'General case' 0 N--CA 1.465 0.288 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.6 mt -86.11 141.03 14.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.3 m -120.1 -163.23 0.98 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.371 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.439 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -83.17 -36.67 24.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.674 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.534 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 68.9 m -59.2 -44.23 92.24 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.839 -179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 18' ' ' PHE . 94.4 mt-10 -68.13 -44.15 76.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.054 -179.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -61.16 -44.41 97.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.784 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.3 ttm180 -64.3 -42.78 96.2 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.558 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.534 ' CD2' ' O ' ' A' ' 29' ' ' SER . 41.6 m-70 -60.25 -45.02 94.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.909 -179.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 70.7 t -65.92 -41.81 90.67 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.574 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.453 ' HB3' HD23 ' A' ' 42' ' ' LEU . 6.0 mmt -61.56 -41.01 96.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.371 -179.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.3 mm -67.11 -43.39 88.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.597 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -60.07 -29.05 68.3 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.834 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 48.1 mt -80.06 4.13 18.13 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.501 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 76.82 23.59 69.16 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.891 -0.883 . . . . 0.0 110.891 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -117.53 136.0 53.55 Favored 'General case' 0 CA--C 1.518 -0.264 0 CA-C-O 120.729 0.3 . . . . 0.0 110.357 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 42' ' ' LEU . 29.7 tptp -117.33 103.15 9.86 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.744 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.879 ' N ' HD22 ' A' ' 42' ' ' LEU . 1.1 mm? -110.04 153.44 24.62 Favored 'General case' 0 CA--C 1.51 -0.582 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.415 -179.685 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -79.66 153.83 29.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.368 -179.309 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 43.7 p-10 -49.4 -35.14 18.12 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.461 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.53 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 85.1 tt0 -56.1 -40.93 74.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.457 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.491 ' OE1' ' NE2' ' A' ' 49' ' ' GLN . 80.6 mm-40 -61.97 -42.62 99.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.584 0.707 . . . . 0.0 110.193 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.439 HG11 ' HB1' ' A' ' 28' ' ' ALA . 71.0 t -66.02 -41.92 90.62 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.493 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.4 mm-40 -66.36 -50.84 62.19 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.454 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.491 ' NE2' ' OE1' ' A' ' 46' ' ' GLU . 5.1 pt20 -56.76 -33.83 66.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.433 0.635 . . . . 0.0 110.533 -179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.5 mtp -71.99 -42.48 66.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.013 -179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 86.4 mt -66.99 -49.44 73.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.575 -179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -42.03 97.74 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.185 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 53.5 mm-40 -60.77 -52.14 66.38 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.05 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.431 ' O ' ' CD2' ' A' ' 56' ' ' LEU . . . -65.13 -41.52 94.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.62 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.433 ' C ' HD22 ' A' ' 56' ' ' LEU . 91.9 m-20 -74.23 123.79 25.18 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.928 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.662 HD23 ' HZ3' ' A' ' 69' ' ' LYS . 4.0 mm? -95.06 -7.53 39.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.546 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.429 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 29.9 p-10 -123.62 5.23 8.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.633 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.17 57.85 4.7 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.646 -0.982 . . . . 0.0 110.646 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 p30 -88.71 -3.63 58.73 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.832 0.348 . . . . 0.0 110.789 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 91.52 -6.45 80.38 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.504 ' NE2' ' CD1' ' A' ' 25' ' ' TYR . 14.3 pt20 -138.45 162.04 35.49 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 121.18 0.514 . . . . 0.0 110.436 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -111.63 129.49 66.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.181 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.51 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -87.57 156.23 19.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.372 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.421 ' CE2' HG21 ' A' ' 68' ' ' VAL . 79.6 t80 -52.2 -44.79 64.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 -179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 88.1 mt-10 -59.5 -41.8 90.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.044 0.449 . . . . 0.0 110.383 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.68 -36.92 85.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.472 0.654 . . . . 0.0 110.431 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 90.3 t80 -66.68 -48.51 69.09 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.057 179.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.421 HG21 ' CE2' ' A' ' 64' ' ' TYR . 70.8 t -59.35 -55.66 22.26 Favored 'Isoleucine or valine' 0 C--O 1.24 0.562 0 CA-C-O 120.976 0.417 . . . . 0.0 111.374 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.662 ' HZ3' HD23 ' A' ' 56' ' ' LEU . 39.4 pttt -56.39 -39.04 72.32 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.515 -179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.554 ' O ' HG23 ' A' ' 74' ' ' VAL . 71.2 mmm -64.99 -43.0 94.01 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.814 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 79.8 mmm -61.16 -29.85 70.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.19 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.1 mtt -80.64 -54.21 5.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.913 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 55.4 m -47.47 -28.06 2.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.637 -179.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 70' ' ' MET . 40.4 t -57.77 -9.78 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.77 179.458 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.447 ' C ' ' O ' ' A' ' 74' ' ' VAL . 20.2 ptt180 -34.47 95.6 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 CA-C-O 121.232 0.539 . . . . 0.0 110.563 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 78.99 -66.99 3.32 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.268 -1.133 . . . . 0.0 110.268 -179.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -136.73 -161.77 9.17 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.435 -1.066 . . . . 0.0 110.435 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.46 175.22 30.12 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.51 -45.83 2.77 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 142.72 -177.75 21.58 Favored Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.633 -0.987 . . . . 0.0 110.633 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.419 ' O ' ' OD1' ' A' ' 81' ' ' ASN . 62.8 t-20 -85.55 -34.6 21.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.345 0.593 . . . . 0.0 110.823 179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.439 ' H ' HE21 ' A' ' 49' ' ' GLN . . . -73.32 -45.98 28.37 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.947 -0.644 . . . . 0.0 111.493 179.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.8 m95 -59.15 -41.2 87.74 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.2 t -63.06 -39.15 93.87 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.936 179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 91.2 mtt-85 -63.11 -42.49 99.56 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.87 178.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 61.5 tp -71.17 -43.9 66.55 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.676 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.573 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.4 OUTLIER -67.52 -15.07 63.47 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.613 -179.166 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 40.6 ttm180 -86.52 -39.92 15.77 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.434 179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -66.66 -0.79 3.11 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.022 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 92' ' ' SER . 20.5 m-85 -105.45 -102.54 0.33 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.164 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.423 ' O ' ' OG ' ' A' ' 91' ' ' SER . 13.0 t 38.26 31.67 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.689 -179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.413 ' N ' ' O ' ' A' ' 90' ' ' PHE . 80.5 p . . . . . 0 C--O 1.22 -0.487 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.638 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.442 ' O ' ' CG ' ' A' ' 2' ' ' HIS . 44.5 p-80 -154.34 102.69 2.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.812 0.339 . . . . 0.0 110.513 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 65.5 mtt 40.67 87.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -149.82 153.1 36.25 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.379 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.3 m -100.94 130.77 46.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 121.08 0.467 . . . . 0.0 110.282 -179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -62.53 -39.7 94.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.25 -179.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -40.89 -55.97 2.35 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.422 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -54.68 -47.96 72.98 Favored 'General case' 0 C--O 1.236 0.394 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.461 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.1 tp10 -60.15 -42.86 95.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.309 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.498 ' OE1' ' NH2' ' A' ' 87' ' ' ARG . 41.3 tt0 -59.13 -46.72 87.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.021 0.438 . . . . 0.0 110.42 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.61 HD21 ' SD ' ' A' ' 71' ' ' MET . 55.7 mt -59.06 -43.65 91.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.588 -179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -68.87 -54.27 16.58 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.493 179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.17 -48.15 81.32 Favored 'General case' 0 C--O 1.241 0.639 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.44 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -62.42 -48.32 80.2 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.577 0.703 . . . . 0.0 111.09 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.454 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 36.7 t80 -65.33 -26.22 67.94 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.721 -179.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.2 tttp -73.0 -34.8 66.64 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.676 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 14' ' ' ALA . 29.4 m -82.98 -28.71 8.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.064 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.583 ' CE1' HG11 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -63.95 -43.61 95.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.474 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 37.1 t0 -81.77 85.65 6.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.384 -179.444 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -59.96 -44.72 94.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.494 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.419 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 7.2 m-20 -63.21 -17.24 62.21 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.119 -179.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 54.09 34.24 19.53 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.416 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.432 ' OD1' ' OD2' ' A' ' 19' ' ' ASP . 37.3 p-10 -87.19 1.28 53.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.535 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 93.52 -17.57 58.22 Favored Glycine 0 CA--C 1.522 0.492 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.444 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 7.1 m-85 -124.9 155.15 39.98 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.163 0.506 . . . . 0.0 110.316 -179.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 87.8 mt -105.07 131.91 53.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.185 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 64.9 m -111.85 149.94 31.09 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.434 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -42.27 -37.38 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.52 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 62.6 m -58.25 -47.31 83.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.744 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 91.3 mt-10 -67.42 -41.67 84.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.988 0.423 . . . . 0.0 110.583 179.258 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.9 tp -64.19 -46.97 81.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.652 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -60.06 -47.84 84.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.846 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -58.89 -44.65 91.19 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.038 0.446 . . . . 0.0 110.851 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.583 HG11 ' CE1' ' A' ' 18' ' ' PHE . 73.6 t -65.74 -39.83 86.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.514 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 13.0 mmt -63.6 -43.33 97.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.695 -179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.425 HD13 ' HA ' ' A' ' 36' ' ' ILE . 34.0 mm -65.1 -43.51 95.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.594 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -63.43 -27.91 69.62 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.115 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 ' HB3' ' HZ3' ' A' ' 89' ' ' LYS . 39.9 mt -79.59 2.09 23.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.712 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 81.71 15.38 75.75 Favored Glycine 0 CA--C 1.52 0.392 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -104.84 122.15 45.16 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.347 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.1 mtmt -97.87 90.59 4.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 46.6 mt -107.08 139.89 40.77 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.246 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.8 p -80.01 160.81 25.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.738 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -53.07 -41.29 64.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.496 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -56.73 -41.79 78.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.701 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.3 mm-40 -60.35 -38.87 85.19 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-O 121.048 0.452 . . . . 0.0 110.228 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.503 HG11 ' HB1' ' A' ' 28' ' ' ALA . 75.0 t -65.25 -44.38 95.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.475 179.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -63.42 -47.97 79.73 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.19 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 -57.07 -35.9 69.92 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.973 0.416 . . . . 0.0 110.382 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.489 ' HG2' ' NE1' ' A' ' 83' ' ' TRP . 1.4 ttm -75.12 -43.56 52.01 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.459 179.44 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.85 -44.95 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.761 -179.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 14.2 ptmt -63.74 -42.28 97.9 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 -179.485 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.474 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 32.9 tp10 -63.7 -36.77 84.93 Favored 'General case' 0 N--CA 1.446 -0.649 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 -178.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -84.2 -43.27 15.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.543 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 65.5 t0 -74.03 128.7 36.21 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.433 -179.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.581 HD12 ' HZ2' ' A' ' 69' ' ' LYS . 69.3 mt -106.77 -1.46 22.56 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.478 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.451 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 14.7 p30 -117.91 -3.34 11.19 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.514 -0.312 . . . . 0.0 110.548 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.2 51.05 7.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 34.5 p-10 -89.53 1.53 55.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.761 0.315 . . . . 0.0 110.603 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.77 -1.92 87.23 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 14.5 pt20 -138.92 156.0 47.61 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-O 120.971 0.415 . . . . 0.0 110.376 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.8 t -105.65 128.74 59.54 Favored 'Isoleucine or valine' 0 C--O 1.235 0.294 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.609 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.705 HD22 ' N ' ' A' ' 63' ' ' ASN . 0.7 OUTLIER -87.95 156.3 19.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.471 179.798 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -53.98 -45.56 71.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.418 -179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG2' ' H ' ' A' ' 65' ' ' GLU . 5.5 pt-20 -60.22 -42.01 94.28 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-O 120.923 0.392 . . . . 0.0 110.593 179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.466 ' O ' ' HG2' ' A' ' 69' ' ' LYS . 94.2 mt-10 -62.61 -33.9 75.92 Favored 'General case' 0 C--O 1.224 -0.267 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.364 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -69.89 -44.18 70.27 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.064 0.459 . . . . 0.0 110.765 179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 90.8 t -59.99 -52.37 61.92 Favored 'Isoleucine or valine' 0 C--O 1.24 0.58 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.827 -178.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HZ2' HD12 ' A' ' 56' ' ' LEU . 35.4 pttt -59.62 -34.68 73.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.141 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.729 ' O ' HG23 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -62.88 -43.61 98.34 Favored 'General case' 0 C--O 1.222 -0.371 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.476 -179.257 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.61 ' SD ' HD21 ' A' ' 11' ' ' LEU . 36.6 ttm -69.34 -24.52 63.92 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.913 0.387 . . . . 0.0 110.386 -179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.8 mtt -80.07 -62.08 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.583 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -46.26 -24.78 0.51 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.581 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.729 HG23 ' O ' ' A' ' 70' ' ' MET . 12.8 t -55.6 -46.36 79.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.645 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -84.89 150.04 25.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.183 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 82.65 3.76 90.38 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.754 -0.938 . . . . 0.0 110.754 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 134.0 61.09 0.07 OUTLIER Glycine 0 N--CA 1.465 0.608 0 N-CA-C 110.569 -1.012 . . . . 0.0 110.569 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.16 159.34 40.72 Favored Glycine 0 C--O 1.227 -0.331 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -145.01 87.19 0.17 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 171.4 142.94 3.84 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.422 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 66.9 t30 -87.76 -34.31 18.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.002 0.43 . . . . 0.0 110.594 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.38 -49.0 16.62 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.595 ' CD1' ' SD ' ' A' ' 70' ' ' MET . 74.7 m95 -65.98 -43.81 86.76 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-O 120.919 0.39 . . . . 0.0 110.596 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 20.8 t -60.68 -40.22 91.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.17 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 28.0 mmt180 -65.6 -39.59 91.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.287 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.512 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 5.1 tt -71.08 -40.88 71.3 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.129 179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.498 ' NH2' ' OE1' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -76.38 -17.5 59.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.027 -179.782 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 61.2 ttt85 -86.44 -45.96 10.66 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.016 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.475 ' HZ3' ' HB3' ' A' ' 38' ' ' LEU . 15.8 pttp -75.8 -8.22 56.35 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.764 -179.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 1.5 m-85 -76.33 -87.88 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.356 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.9 t -141.94 44.06 1.69 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.4 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 10.2 t . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.556 179.832 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 109.566 -1.414 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -77.69 145.84 36.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.717 0.294 . . . . 0.0 110.589 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 66.5 mtt 47.35 66.78 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.508 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.423 ' OD2' ' OE2' ' A' ' 9' ' ' GLU . 60.9 t0 -147.88 126.04 12.18 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.351 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 p -90.82 133.8 34.93 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.549 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.422 ' O ' ' OD1' ' A' ' 6' ' ' ASP . 63.1 t0 -57.57 -39.67 77.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.306 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -47.83 -57.76 5.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.389 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -52.32 -48.7 65.28 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.405 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.423 ' OE2' ' OD2' ' A' ' 4' ' ' ASP . 97.7 mt-10 -57.14 -44.06 83.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.523 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 79.8 tt0 -57.51 -50.08 74.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.605 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.3 mt -56.56 -42.94 79.42 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.357 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.9 mmtp -66.53 -52.06 49.87 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.788 -0.365 . . . . 0.0 111.192 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.423 ' O ' HG23 ' A' ' 17' ' ' VAL . 99.0 mt-10 -54.02 -55.58 26.02 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.545 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.13 -47.7 82.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.59 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -51.32 -48.09 62.47 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.386 -179.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -63.75 -33.8 76.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.699 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 13' ' ' GLU . 77.4 t -70.81 -44.66 75.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.962 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE1' HG11 ' A' ' 34' ' ' VAL . 30.3 m-85 -71.63 -42.39 67.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.582 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 44.1 t0 -78.05 65.75 3.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.257 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' N ' ' OE2' ' A' ' 30' ' ' GLU . 87.8 tttt -59.3 -46.13 89.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.351 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -67.36 -10.11 47.87 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.996 0.427 . . . . 0.0 110.408 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 49.94 30.95 4.3 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.283 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.454 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 31.8 p-10 -84.73 -0.48 53.81 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.468 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 95.39 -22.36 39.22 Favored Glycine 0 CA--C 1.519 0.331 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.454 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 4.6 m-85 -122.21 156.46 33.69 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 121.024 0.44 . . . . 0.0 110.458 -179.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -107.84 132.37 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.265 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.311 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 78.5 p -103.35 -170.41 1.78 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.532 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.63 56.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.55 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.536 ' O ' ' CG ' ' A' ' 33' ' ' HIS . 5.3 t -51.39 -47.85 62.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.454 -179.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.524 ' O ' HG23 ' A' ' 34' ' ' VAL . 93.4 mt-10 -67.08 -36.57 82.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.336 179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.524 ' O ' HD13 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -62.31 -55.15 31.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.243 0.544 . . . . 0.0 110.819 -179.484 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 29.8 ttp180 -67.48 -43.37 81.14 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.174 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 29' ' ' SER . 7.3 m-70 -59.35 -47.61 84.77 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.04 -178.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.529 HG11 ' CE1' ' A' ' 18' ' ' PHE . 71.7 t -64.57 -44.75 96.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.976 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.464 ' SD ' ' CD1' ' A' ' 31' ' ' LEU . 31.5 mtt -60.66 -40.26 91.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.624 -179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.5 mm -66.62 -44.69 89.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.309 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -59.01 -27.3 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.645 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 75.2 mt -82.97 5.12 23.1 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.7 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.97 19.26 73.13 Favored Glycine 0 CA--C 1.521 0.414 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.468 ' OE2' ' NZ ' ' A' ' 89' ' ' LYS . 40.8 mm-40 -104.2 124.28 48.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.022 0.439 . . . . 0.0 110.3 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 37.0 mmtm -104.63 92.41 4.28 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.736 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.439 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.5 mp -104.07 -173.9 2.42 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.107 -179.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 p -115.34 153.59 30.7 Favored 'General case' 0 C--O 1.225 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.036 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 39.6 p-10 -51.71 -39.31 58.16 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.739 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.525 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 1.1 pt-20 -57.05 -39.88 75.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.682 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -62.28 -39.98 94.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.977 0.418 . . . . 0.0 110.183 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 72.2 t -62.43 -47.94 90.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.407 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -61.72 -48.08 82.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.512 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.53 ' NE2' ' NZ ' ' A' ' 52' ' ' LYS . 74.6 mm-40 -52.3 -39.34 60.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.341 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 91.4 mtp -72.07 -40.81 68.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.907 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.4 mt -66.38 -47.48 83.91 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.53 ' NZ ' ' NE2' ' A' ' 49' ' ' GLN . 11.1 ptpt -65.83 -44.84 84.37 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.081 -179.721 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 80' ' ' GLY . 30.1 tt0 -62.65 -47.14 84.99 Favored 'General case' 0 N--CA 1.446 -0.626 0 CA-C-N 116.01 -0.541 . . . . 0.0 109.774 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.449 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -70.09 -44.18 69.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.453 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 58' ' ' GLY . 31.6 t0 -71.83 128.11 34.71 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.417 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.487 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.1 mp -103.92 -8.48 19.64 Favored 'General case' 0 CA--C 1.518 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.688 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 8.7 p-10 -112.99 0.12 14.95 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.711 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.539 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 45.45 58.82 5.04 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.508 ' OD1' ' O ' ' A' ' 61' ' ' GLN . 32.6 p30 -100.7 3.19 42.14 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.861 0.362 . . . . 0.0 110.376 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.47 ' O ' ' NE2' ' A' ' 61' ' ' GLN . . . 79.89 -3.81 68.55 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 111.173 -0.771 . . . . 0.0 111.173 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.508 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 83.9 mm-40 -135.05 139.45 44.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.213 0.53 . . . . 0.0 110.435 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -89.4 129.49 40.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.38 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 64' ' ' TYR . 2.7 t-20 -89.64 155.55 19.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.763 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.702 ' H ' ' ND2' ' A' ' 63' ' ' ASN . 85.4 t80 -52.64 -44.91 66.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.673 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.458 ' CG ' ' N ' ' A' ' 66' ' ' GLU . 14.2 pt-20 -58.52 -41.2 84.9 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.853 0.358 . . . . 0.0 110.663 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.458 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 97.9 mt-10 -65.86 -34.56 78.42 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.372 0.606 . . . . 0.0 110.177 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 88.7 t80 -68.66 -47.17 67.22 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.565 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.21 -51.38 73.72 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.169 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.483 ' CG ' ' N ' ' A' ' 70' ' ' MET . 0.0 OUTLIER -59.62 -41.56 90.7 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.0 -179.42 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.483 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 77.3 mmm -66.02 -39.07 89.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.987 -179.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.62 ' O ' HG12 ' A' ' 74' ' ' VAL . 8.8 mmt -62.32 -31.31 71.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.026 179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 63.4 mtt -89.15 -60.79 1.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.249 0.547 . . . . 0.0 110.474 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.3 m -43.4 -29.86 0.48 Allowed 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.62 HG12 ' O ' ' A' ' 71' ' ' MET . 15.0 p -61.26 -44.27 98.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.669 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.569 ' N ' HG13 ' A' ' 74' ' ' VAL . 13.0 ptm180 -93.2 121.07 34.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.6 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 66.2 34.94 89.61 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -153.42 -49.26 0.01 OUTLIER Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 158.39 -97.47 0.16 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.256 -0.737 . . . . 0.0 111.256 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 85.86 153.47 21.8 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.374 -1.09 . . . . 0.0 110.374 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 53' ' ' GLU . . . -79.9 -158.26 15.6 Favored Glycine 0 CA--C 1.521 0.451 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 -179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.537 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 45.6 p-10 -91.51 -33.7 15.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.537 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -73.45 -52.54 8.41 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.271 -0.732 . . . . 0.0 111.271 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 95.8 m95 -60.49 -42.51 96.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.771 0.32 . . . . 0.0 110.143 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.1 p -64.31 -37.06 86.14 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.394 179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.8 tpt180 -65.34 -42.25 93.06 Favored 'General case' 0 C--O 1.222 -0.379 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.589 179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 50.5 tp -70.63 -32.79 70.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.089 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -61.28 -68.63 0.3 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.23 0.538 . . . . 0.0 109.589 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 78.9 mtp85 -53.43 -34.73 58.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.036 -179.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' NZ ' ' OE2' ' A' ' 40' ' ' GLU . 0.5 OUTLIER -55.95 -32.19 63.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.117 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -74.53 -75.98 0.15 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.777 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 87.5 p 44.07 -131.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.714 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.963 -1.018 . . . . 0.0 110.565 179.933 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.337 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.426 ' ND1' ' N ' ' A' ' 2' ' ' HIS . 4.6 m80 -93.53 133.07 37.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.903 0.382 . . . . 0.0 110.414 -179.939 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.4 ' O ' ' O ' ' A' ' 4' ' ' ASP . 11.8 ptt? -174.24 60.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.561 179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 3' ' ' MET . 99.7 m-20 50.36 179.68 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.534 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.9 m -105.62 129.44 53.87 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 121.062 0.458 . . . . 0.0 110.321 -179.893 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -61.8 -34.23 75.54 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -179.76 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.532 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.88 -55.82 26.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.508 -179.838 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -49.95 -37.85 33.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -70.69 -38.49 73.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.614 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.55 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 76.7 tt0 -61.47 -53.57 54.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.795 -179.782 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.9 mp -62.62 -42.62 99.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.749 -179.491 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -66.37 -51.63 55.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.231 -179.752 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -63.46 -47.61 81.1 Favored 'General case' 0 C--O 1.239 0.541 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.692 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.13 -46.62 89.84 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.486 0.66 . . . . 0.0 110.543 179.925 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.8 t80 -66.02 -26.34 67.48 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.616 -179.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -72.0 -35.15 69.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.546 -179.151 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG22 ' H ' ' A' ' 17' ' ' VAL . 22.5 m -83.52 -26.0 7.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.926 -179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.562 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.3 OUTLIER -60.73 -44.17 97.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.315 179.886 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.549 ' OD2' ' ND2' ' A' ' 23' ' ' ASN . 20.6 t0 -85.39 80.76 9.01 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.633 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.6 ptmt -52.46 -37.42 56.99 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.748 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.459 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 25.3 p-10 -79.04 -9.08 59.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.581 -179.737 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 94.6 mt-30 42.15 45.5 3.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.273 -179.791 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.756 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -87.47 -1.76 58.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.222 -179.979 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.503 ' C ' ' CD1' ' A' ' 25' ' ' TYR . . . 94.07 11.52 57.47 Favored Glycine 0 N--CA 1.463 0.479 0 N-CA-C 111.157 -0.777 . . . . 0.0 111.157 179.797 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.756 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 57.1 m-85 -157.2 156.3 32.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.865 0.364 . . . . 0.0 110.702 -179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.8 mt -106.78 126.95 62.66 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.412 0 CA-C-O 120.929 0.395 . . . . 0.0 110.155 179.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.7 p -100.66 -177.17 3.4 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.538 179.799 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.775 179.568 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 36.3 t -59.2 -43.77 92.23 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.481 -179.202 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -65.51 -44.41 87.06 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 tp -60.47 -42.25 95.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.441 -179.869 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -63.65 -44.14 94.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.301 179.365 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.489 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -56.74 -42.21 78.89 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -178.955 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 62.0 t -65.32 -41.67 91.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.591 -178.927 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 17.4 mmt -59.93 -42.83 94.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.194 -179.149 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.8 mm -67.27 -42.99 88.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.905 0.383 . . . . 0.0 110.481 179.497 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -58.92 -32.87 69.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.88 -179.745 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.41 ' O ' ' NZ ' ' A' ' 89' ' ' LYS . 64.8 mt -79.23 3.2 18.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.559 179.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 80.25 20.6 66.74 Favored Glycine 0 CA--C 1.519 0.306 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 179.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -117.31 132.27 56.64 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.779 0.323 . . . . 0.0 110.72 -179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.452 ' C ' HD12 ' A' ' 42' ' ' LEU . 27.0 pttt -109.98 101.91 10.69 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.891 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 42' ' ' LEU . 11.2 mp -105.04 148.48 26.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.025 0.44 . . . . 0.0 110.664 179.982 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -77.34 153.12 34.09 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.686 -179.86 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.4 t0 -50.24 -39.92 46.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.222 179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.601 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 92.6 mt-10 -54.43 -40.74 68.61 Favored 'General case' 0 C--O 1.218 -0.584 0 CA-C-O 121.59 0.709 . . . . 0.0 110.085 -179.649 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.411 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 72.9 mm-40 -63.38 -43.77 96.66 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.515 0.674 . . . . 0.0 110.178 179.848 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.34 -48.9 83.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.107 0.48 . . . . 0.0 111.908 -179.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.601 ' HG3' ' O ' ' A' ' 45' ' ' GLU . 2.4 pp20? -62.6 -49.18 76.23 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.439 -178.568 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' N ' ' CD ' ' A' ' 48' ' ' GLU . 0.3 OUTLIER -59.66 -34.81 73.31 Favored 'General case' 0 N--CA 1.446 -0.629 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 -178.202 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 70.9 mtp -65.24 -40.22 93.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.822 -179.661 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 93.2 mt -64.94 -43.59 96.21 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.201 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.443 179.456 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -61.08 -46.38 90.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.421 -178.857 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -58.34 -50.63 72.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.673 179.8 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -72.42 -42.29 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.052 179.643 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 63.8 t0 -73.02 122.87 22.45 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.726 -179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.9 mp -102.84 -8.42 20.78 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.321 179.897 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.466 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 2.1 p30 -116.11 1.18 13.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.677 -179.984 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.18 52.38 10.37 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.828 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.463 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 30.3 p-10 -89.46 3.77 51.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 -179.925 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 86.37 -8.13 75.78 Favored Glycine 0 CA--C 1.52 0.353 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.607 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.447 ' O ' ' OD1' ' A' ' 59' ' ' ASP . 19.8 pt20 -137.04 158.64 44.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.055 0.455 . . . . 0.0 110.478 -179.899 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.01 132.71 47.41 Favored 'Isoleucine or valine' 0 C--O 1.238 0.49 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.37 -179.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -88.94 156.75 18.7 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.562 179.973 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -53.89 -43.26 69.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.52 -179.69 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -61.61 -41.85 98.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.451 -179.595 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -63.11 -34.48 77.7 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.459 0.647 . . . . 0.0 110.401 179.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -70.81 -43.16 69.2 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.66 179.631 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 71.0 t -61.67 -53.16 52.03 Favored 'Isoleucine or valine' 0 C--O 1.239 0.55 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.163 -179.043 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 18.0 ptmt -59.04 -39.04 80.76 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.478 -179.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.702 ' O ' HG23 ' A' ' 74' ' ' VAL . 73.4 mmm -65.7 -39.34 91.15 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 179.627 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.46 ' SD ' ' NE ' ' A' ' 87' ' ' ARG . 46.2 tpp -63.54 -31.59 72.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.57 179.969 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.8 mtt -80.38 -55.18 5.07 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.792 179.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.401 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 78.5 m -47.32 -27.36 1.56 Allowed 'General case' 0 N--CA 1.455 -0.203 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.723 -179.433 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.702 HG23 ' O ' ' A' ' 70' ' ' MET . 36.8 t -56.77 -46.4 83.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.591 -179.629 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 80.4 mmt-85 -89.14 98.25 11.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.279 179.979 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 107.96 -16.24 36.38 Favored Glycine 0 N--CA 1.463 0.46 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . -139.2 27.93 2.62 Favored Glycine 0 N--CA 1.462 0.425 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 179.935 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -36.24 127.56 0.94 Allowed Glycine 0 CA--C 1.522 0.509 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 80' ' ' GLY . . . -138.55 -107.56 0.78 Allowed Glycine 0 N--CA 1.462 0.422 0 N-CA-C 110.081 -1.207 . . . . 0.0 110.081 -179.256 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.54 ' O ' ' O ' ' A' ' 79' ' ' GLY . . . -27.39 150.43 0.0 OUTLIER Glycine 0 C--N 1.342 0.874 0 N-CA-C 110.799 -0.92 . . . . 0.0 110.799 -179.623 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.551 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 25.4 p30 -90.95 -30.47 16.83 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.948 0.404 . . . . 0.0 110.715 -179.312 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.551 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -72.72 -48.39 22.38 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -59.95 -43.86 94.75 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.666 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 71.4 m -60.86 -37.96 83.93 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.48 179.757 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -64.64 -42.09 95.68 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.274 179.009 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 55.2 tp -70.12 -42.09 73.1 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.483 179.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.55 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -73.01 -13.21 61.18 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.86 -179.328 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -80.38 -45.55 17.52 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.112 179.812 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.41 ' NZ ' ' O ' ' A' ' 38' ' ' LEU . 28.4 ttpt -80.72 4.06 20.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.006 -179.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.453 ' O ' ' O ' ' A' ' 91' ' ' SER . 0.2 OUTLIER -87.15 47.77 1.55 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.221 0.534 . . . . 0.0 110.435 179.779 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.453 ' O ' ' O ' ' A' ' 90' ' ' PHE . 5.2 p 57.32 154.07 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 p . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.953 -1.022 . . . . 0.0 110.633 -179.992 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.336 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 95.9 m-70 -101.85 100.72 11.08 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.893 0.377 . . . . 0.0 110.438 -179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 23.7 mmt -63.61 -60.4 3.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.431 179.83 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 46.5 t0 57.15 57.61 4.44 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.5 179.876 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.427 HG22 ' H ' ' A' ' 7' ' ' ALA . 8.8 m -81.94 137.68 35.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.009 0.433 . . . . 0.0 110.628 179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 44.6 p-10 -65.46 -35.28 80.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.537 -179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.533 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -42.44 -55.36 3.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.337 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -53.29 -42.45 66.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.435 179.884 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -68.13 -41.93 80.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.595 179.721 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 tt0 -59.42 -47.96 83.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.924 0.392 . . . . 0.0 110.522 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.3 mt -63.86 -43.13 97.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.525 -179.243 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 53.4 tttm -66.15 -50.64 63.27 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.012 0.434 . . . . 0.0 111.099 -179.782 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 17' ' ' VAL . 95.7 mt-10 -59.94 -52.93 63.29 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.004 0.43 . . . . 0.0 110.603 -179.548 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -56.3 -43.77 79.24 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.413 0.625 . . . . 0.0 110.454 179.703 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -61.51 -31.51 71.52 Favored 'General case' 0 C--N 1.318 -0.784 0 C-N-CA 120.468 -0.493 . . . . 0.0 110.564 -179.902 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -68.24 -36.38 79.39 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.948 -179.41 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -76.62 -31.41 19.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.5 0 CA-C-O 121.187 0.518 . . . . 0.0 110.63 -179.798 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.2 m-85 -64.89 -45.67 84.98 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.007 -179.335 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -90.14 76.11 6.95 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.554 -179.43 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -57.51 -36.34 71.42 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.013 -179.712 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.431 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 10.3 m-20 -67.19 -18.5 65.28 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.02 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 55.42 28.5 11.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.742 -179.957 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -85.57 -5.24 59.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 179.969 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 80.95 12.92 82.09 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -142.95 114.47 7.99 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.949 0.404 . . . . 0.0 110.609 -179.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 89.7 mt -87.39 143.89 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.877 179.58 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 11.5 m -124.58 -158.86 0.84 Allowed 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.81 -179.597 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.402 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.9 -36.3 20.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.605 -179.956 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 68.5 m -59.75 -45.94 90.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.831 -179.479 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 74.8 mt-10 -70.06 -45.82 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.071 0.462 . . . . 0.0 110.832 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.58 -44.68 96.57 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.662 -179.085 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -61.97 -44.93 95.71 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.154 179.877 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.526 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -55.8 -41.08 73.6 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.284 0.564 . . . . 0.0 110.061 -178.867 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.526 HG23 ' CE1' ' A' ' 33' ' ' HIS . 52.9 t -64.88 -41.98 93.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.462 -179.273 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 18.3 mmt -61.74 -43.28 99.16 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.819 -179.344 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.419 HD13 ' O ' ' A' ' 40' ' ' GLU . 48.4 mm -67.64 -43.83 86.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 120.919 0.39 . . . . 0.0 110.701 179.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -60.03 -31.56 70.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.031 -0.531 . . . . 0.0 109.993 -179.763 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 60.5 mt -77.12 3.9 11.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.828 179.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 78.59 20.85 70.56 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.419 ' O ' HD13 ' A' ' 36' ' ' ILE . 40.1 tp10 -115.6 132.33 56.66 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-O 120.817 0.342 . . . . 0.0 110.136 179.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 pttp -107.04 99.03 8.62 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.645 -179.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 45.8 mt -111.55 146.48 37.26 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.024 179.995 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -80.0 159.5 26.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.362 -179.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 -51.0 -38.8 53.52 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.265 -179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -51.01 -46.17 61.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.385 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.66 -44.73 96.4 Favored 'General case' 0 C--O 1.244 0.801 0 CA-C-O 121.574 0.702 . . . . 0.0 110.614 -179.977 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.6 t -62.4 -47.99 90.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.5 179.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 79.0 tt0 -59.82 -45.34 92.67 Favored 'General case' 0 N--CA 1.449 -0.476 0 C-N-CA 120.94 -0.304 . . . . 0.0 110.262 -179.523 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -52.03 -39.58 59.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.335 0.588 . . . . 0.0 109.596 179.588 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.662 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 22.9 mmm -69.08 -39.94 78.75 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.829 178.722 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mm -64.42 -48.85 83.45 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.342 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.447 -179.582 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.493 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.0 pttp -62.16 -44.39 96.71 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.266 0.555 . . . . 0.0 110.896 -179.284 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 59.1 mm-40 -59.73 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.42 -178.61 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.01 -41.55 74.2 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.756 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.416 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 4.8 m-20 -73.81 116.75 14.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.031 0.443 . . . . 0.0 110.427 -179.57 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 57' ' ' ASP . 0.3 OUTLIER -92.15 -11.19 36.28 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.074 179.774 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.638 ' N ' HD12 ' A' ' 56' ' ' LEU . 24.3 p-10 -117.65 9.32 13.06 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.811 0.338 . . . . 0.0 110.476 -179.999 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.08 50.53 12.36 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.675 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.7 p-10 -104.52 3.89 32.44 Favored 'General case' 0 N--CA 1.461 0.094 0 CA-C-O 120.735 0.303 . . . . 0.0 110.541 -179.996 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 64.0 14.78 56.98 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.629 -0.988 . . . . 0.0 110.629 179.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -127.16 105.21 8.41 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -81.4 120.59 33.31 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 179.772 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.677 HD22 ' N ' ' A' ' 63' ' ' ASN . 1.0 OUTLIER -86.38 160.54 19.05 Favored 'General case' 0 C--N 1.332 -0.165 0 O-C-N 123.56 0.538 . . . . 0.0 110.682 -179.596 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 56.0 t80 -52.64 -46.72 67.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.626 -179.205 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 65' ' ' GLU . 3.5 pm0 -60.14 -42.22 94.36 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.922 0.391 . . . . 0.0 110.22 -179.783 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.464 ' OE2' HD11 ' A' ' 56' ' ' LEU . 98.0 mt-10 -63.04 -38.72 92.33 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.248 179.976 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -63.58 -47.16 82.63 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.845 179.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.93 -69.53 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.395 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.954 -179.401 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.441 ' CG ' ' N ' ' A' ' 70' ' ' MET . 43.6 pttt -42.62 -41.24 3.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.497 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.588 ' O ' HG13 ' A' ' 74' ' ' VAL . 72.8 mmm -64.2 -44.03 93.24 Favored 'General case' 0 CA--C 1.508 -0.673 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.285 -179.599 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.704 ' O ' HG22 ' A' ' 74' ' ' VAL . 69.1 mmm -59.49 -27.31 66.03 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.997 0.811 . . . . 0.0 109.451 -179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 68.1 mtt -79.07 -50.24 11.38 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.287 -0.565 . . . . 0.0 110.633 179.255 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 12.3 m -47.74 -31.62 4.99 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.894 -179.611 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 71' ' ' MET . 2.5 m -53.32 -26.19 11.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.577 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.524 ' NH2' ' O ' ' A' ' 92' ' ' SER . 95.4 mtt180 -93.38 142.22 27.56 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.647 179.877 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 98.77 -11.31 62.68 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 105.28 63.15 0.64 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.43 -160.77 14.15 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 110.536 -1.026 . . . . 0.0 110.536 -179.821 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.5 -49.45 2.9 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.719 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 132.38 -165.9 23.53 Favored Glycine 0 N--CA 1.465 0.579 0 N-CA-C 110.496 -1.041 . . . . 0.0 110.496 179.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 19.4 p30 -92.22 -33.73 14.56 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.866 0.365 . . . . 0.0 110.476 179.788 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.427 ' C ' ' SD ' ' A' ' 50' ' ' MET . . . -75.76 -43.52 22.86 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.503 179.213 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.662 ' N ' ' SD ' ' A' ' 50' ' ' MET . 82.3 m95 -67.33 -47.24 71.08 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.258 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -60.9 -34.81 75.22 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.934 -0.575 . . . . 0.0 109.902 179.408 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 17.2 tpt180 -65.74 -42.11 91.35 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.916 -0.583 . . . . 0.0 110.712 179.144 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.8 tp -69.06 -39.93 78.81 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 121.123 0.487 . . . . 0.0 110.399 179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.13 -14.19 59.57 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.439 -179.364 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -62.34 -55.21 30.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.174 0.512 . . . . 0.0 110.188 179.552 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -51.23 -90.09 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.856 179.574 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 4.3 p90 -83.91 103.35 13.1 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 110.036 -0.357 . . . . 0.0 110.036 179.892 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 p -94.45 -156.25 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.07 179.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.524 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 76.7 p . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.999 -1.001 . . . . 0.0 110.578 179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.4 ' O ' ' OG1' ' A' ' 5' ' ' THR . . . . . . . . 0 N--CA 1.49 2.293 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -83.48 -12.74 55.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.571 179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.596 ' O ' ' C ' ' A' ' 4' ' ' ASP . 1.3 mpt? -81.9 97.89 8.27 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.173 -179.71 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.596 ' C ' ' O ' ' A' ' 3' ' ' MET . 52.9 p-10 11.79 79.47 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.664 0.603 . . . . 0.0 111.09 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 1' ' ' GLY . 10.8 m -75.47 142.43 42.93 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.276 -178.607 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -56.11 -42.17 76.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.222 -179.755 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.22 -59.45 3.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.348 -179.69 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -49.71 -45.78 49.43 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.338 -179.968 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -63.95 -41.4 97.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.33 179.829 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.546 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.5 tt0 -58.31 -52.93 63.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.496 179.833 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 48.5 mt -56.22 -46.96 79.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.477 -179.313 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -65.99 -53.33 40.28 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.009 179.71 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -53.11 -60.33 3.42 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.495 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.6 -46.73 70.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.272 179.862 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -53.1 -46.51 68.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.384 -179.789 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.7 ttpt -60.79 -37.12 80.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.547 -179.846 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.3 t -65.98 -36.86 78.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.568 179.984 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.602 ' CE1' HG11 ' A' ' 34' ' ' VAL . 43.4 m-85 -80.76 -41.11 24.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.836 179.928 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 30.5 t0 -87.77 57.75 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.835 -179.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.7 mtpp -58.06 -40.11 80.15 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.337 179.916 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 42.2 p-10 -67.2 -15.44 63.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.355 179.886 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.49 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 84.3 mt-30 56.56 29.29 15.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.858 179.752 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.416 ' ND2' ' O ' ' A' ' 25' ' ' TYR . 42.4 p-10 -75.08 -15.49 60.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.383 179.764 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.11 -30.94 8.89 Favored Glycine 0 N--CA 1.462 0.427 0 N-CA-C 111.104 -0.798 . . . . 0.0 111.104 179.54 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.416 ' O ' ' ND2' ' A' ' 23' ' ' ASN . 2.1 m-85 -123.34 133.05 54.16 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.722 0.296 . . . . 0.0 110.477 179.902 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 95.9 mt -74.82 137.09 23.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.573 179.725 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.8 p -105.76 -175.49 2.81 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.565 179.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.465 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -80.82 -38.81 27.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.554 179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 64.0 m -60.09 -43.31 95.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.649 -179.489 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -65.83 -42.48 90.51 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.715 -179.886 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 13.1 tp -62.0 -43.61 98.47 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.799 -179.735 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 69.5 ttt180 -64.32 -40.21 95.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 179.779 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.612 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -62.52 -39.85 94.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 120.982 0.42 . . . . 0.0 110.479 -179.536 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.612 HG23 ' CE1' ' A' ' 33' ' ' HIS . 55.7 t -69.08 -42.23 81.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.684 -0.689 . . . . 0.0 109.982 -179.291 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.6 mmt -64.72 -40.17 94.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.811 -179.19 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.0 mm -66.32 -44.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.534 179.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.426 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 59.4 t-20 -64.16 -25.35 68.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.952 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 56.5 mt -82.46 0.34 42.76 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.729 179.653 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 85.2 25.2 41.02 Favored Glycine 0 CA--C 1.52 0.376 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 179.821 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -115.97 124.52 50.75 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.959 0.409 . . . . 0.0 110.114 179.787 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 50.8 mtmt -108.47 103.65 12.83 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.552 ' O ' HD12 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -127.82 156.27 42.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.055 179.975 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 p -83.51 163.9 20.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.878 -179.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -56.77 -34.85 68.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.615 -179.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.94 -48.13 67.56 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.46 -179.929 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -58.61 -36.7 74.46 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.2 0.524 . . . . 0.0 110.083 -179.753 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.465 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.7 t -68.32 -47.02 79.74 Favored 'Isoleucine or valine' 0 C--O 1.236 0.373 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.754 179.824 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -60.8 -47.63 85.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.136 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -52.6 -46.56 67.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.349 -179.888 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 97.3 mtp -61.27 -38.54 87.11 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.196 0.522 . . . . 0.0 110.34 179.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.6 mt -70.04 -42.88 79.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.981 179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 26.5 mtpp -62.21 -47.16 85.69 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.252 -177.741 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -68.61 -36.49 78.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.986 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.86 -50.95 13.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.984 -179.629 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 58' ' ' GLY . 34.2 t0 -73.24 139.79 46.44 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.888 -179.613 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD23 ' H ' ' A' ' 56' ' ' LEU . 0.6 OUTLIER -107.83 -1.28 20.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.291 179.78 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -114.15 -2.28 13.46 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.325 -179.329 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.463 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.57 45.5 17.43 Favored Glycine 0 CA--C 1.521 0.432 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.45 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 27.2 p-10 -100.21 11.53 39.16 Favored 'General case' 0 C--N 1.332 -0.152 0 O-C-N 122.702 -0.293 . . . . 0.0 110.513 -179.85 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.24 8.07 11.21 Favored Glycine 0 CA--C 1.52 0.374 0 N-CA-C 110.784 -0.926 . . . . 0.0 110.784 179.874 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -128.79 114.26 16.33 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.867 0.365 . . . . 0.0 110.613 -179.836 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.7 t -85.82 121.95 37.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.245 -179.865 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.404 ' OD1' ' N ' ' A' ' 64' ' ' TYR . 20.6 t-20 -84.41 159.92 20.71 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.582 179.837 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.404 ' N ' ' OD1' ' A' ' 63' ' ' ASN . 89.5 t80 -52.49 -42.89 64.67 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.433 -179.57 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 91.9 mt-10 -60.68 -46.49 90.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.608 -179.645 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -60.36 -35.77 76.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.324 0.583 . . . . 0.0 110.398 179.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.516 ' CE1' ' SD ' ' A' ' 71' ' ' MET . 64.5 t80 -68.35 -47.58 67.08 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.079 0.466 . . . . 0.0 110.475 179.503 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 55.3 t -58.61 -55.54 22.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.414 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.774 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.529 ' CG ' ' N ' ' A' ' 70' ' ' MET . 19.4 pttm -55.15 -45.09 75.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.327 -179.035 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.529 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 85.8 mmm -65.74 -42.62 90.78 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.133 -179.376 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.516 ' SD ' ' CE1' ' A' ' 67' ' ' PHE . 1.1 tpt -52.31 -40.31 61.7 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.405 -179.91 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 66.4 mtt -77.05 -46.91 22.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.725 179.252 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -45.85 -31.0 1.89 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.438 -179.864 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 62.0 t -60.23 -45.92 95.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.493 -179.93 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -95.65 120.2 35.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.146 179.774 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 84.12 35.01 16.12 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 179.931 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.464 ' O ' ' C ' ' A' ' 78' ' ' GLY . . . 153.82 31.11 0.03 OUTLIER Glycine 0 C--N 1.329 0.185 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.963 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -31.43 127.6 0.21 Allowed Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.32 -0.712 . . . . 0.0 111.32 179.865 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.32 56.41 0.44 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 -179.199 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -176.96 128.77 1.37 Allowed Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.697 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -74.8 -45.28 44.56 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.925 0.393 . . . . 0.0 110.529 -179.973 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.37 -46.53 19.97 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.841 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -57.35 -42.28 81.69 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.98 0.419 . . . . 0.0 109.881 179.537 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.429 ' O ' ' CG ' ' A' ' 88' ' ' ARG . 47.8 t -62.97 -38.55 91.56 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.253 179.323 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 -62.55 -43.44 98.8 Favored 'General case' 0 N--CA 1.461 0.119 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.938 179.374 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 6.6 tp -68.87 -36.58 78.27 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.215 179.526 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.546 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.5 OUTLIER -77.38 -15.08 59.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.739 -179.262 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.429 ' CG ' ' O ' ' A' ' 84' ' ' SER . 0.9 OUTLIER -86.14 -45.36 11.43 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.86 179.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -72.38 -8.35 54.52 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.582 -179.65 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.535 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 3.0 m-85 -84.8 -99.05 0.06 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.403 -179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.0 p 46.59 73.75 0.17 Allowed 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.484 -179.621 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 75.3 p . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 117.9 -1.047 . . . . 0.0 110.609 179.892 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.545 -1.422 . . . . 0.0 109.545 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -65.5 -39.13 91.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.808 0.337 . . . . 0.0 110.511 -179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.1 mmm 46.86 85.72 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.657 179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 55.1 p-10 -165.45 24.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.551 179.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 61.8 p -73.44 90.94 1.73 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.817 -179.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -64.02 -34.52 78.19 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.161 -179.744 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.46 -56.49 16.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.423 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -51.47 -38.82 55.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.499 179.866 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.99 -41.21 82.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.493 179.798 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 79.2 tt0 -58.71 -48.41 81.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.484 -179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.7 mp -63.42 -42.35 98.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.66 -179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -68.65 -53.8 20.24 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 121.084 0.469 . . . . 0.0 110.864 -179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 75.7 mt-10 -58.68 -52.63 64.88 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-O 121.203 0.525 . . . . 0.0 110.441 179.835 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.612 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -54.92 -44.2 74.02 Favored 'General case' 0 C--O 1.221 -0.424 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.792 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -57.64 -36.35 71.72 Favored 'General case' 0 C--N 1.319 -0.76 0 O-C-N 122.067 -0.395 . . . . 0.0 110.663 179.849 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -64.03 -35.97 82.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.225 -178.504 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 14' ' ' ALA . 0.8 OUTLIER -72.37 -35.23 51.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.562 -179.977 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 3.8 m-85 -62.88 -45.7 91.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.089 -179.102 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 24.0 t0 -76.02 68.43 2.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.436 -179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 65.1 tttm -57.58 -48.23 79.94 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.569 -179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' OD1' ' OD1' ' A' ' 19' ' ' ASP . 32.5 p-10 -67.5 -21.3 65.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.511 -179.916 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.52 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 41.7 tt0 63.46 40.85 7.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.423 179.961 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 53.4 p-10 -96.48 -1.06 48.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.461 -179.895 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.542 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 74.4 22.35 77.59 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.542 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 55.5 m-85 -155.5 117.02 4.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.681 0.277 . . . . 0.0 110.404 -179.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 90.2 mt -77.51 136.27 24.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.76 179.69 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.9 t -127.18 157.55 39.45 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.672 -179.696 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -47.41 -40.62 18.28 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.402 -179.684 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 5.7 t -58.95 -52.78 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.763 -179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 49.0 mt-10 -63.4 -42.14 98.77 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.376 179.75 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.577 HD23 ' O ' ' A' ' 31' ' ' LEU . 1.1 tt -62.68 -43.69 98.17 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.34 0.59 . . . . 0.0 110.456 -179.689 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -61.79 -41.69 98.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.363 179.693 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -60.48 -38.59 84.78 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 120.977 0.418 . . . . 0.0 110.02 -179.649 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 HG23 ' CE1' ' A' ' 33' ' ' HIS . 48.3 t -64.89 -44.14 96.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.07 -178.739 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.446 ' N ' ' SD ' ' A' ' 35' ' ' MET . 0.0 OUTLIER -62.35 -38.44 89.52 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.703 179.561 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 7.6 mm -68.76 -46.67 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.672 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.8 t30 -58.02 -27.16 63.29 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.73 179.664 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.8 mt -80.12 8.8 6.49 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.936 179.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 69.99 32.93 69.72 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 111.164 -0.774 . . . . 0.0 111.164 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -127.41 146.16 50.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.726 0.298 . . . . 0.0 110.471 179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -119.1 104.7 10.7 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.312 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 12.8 mt -114.28 151.76 32.41 Favored 'General case' 0 N--CA 1.465 0.297 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.543 -179.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -81.42 155.01 26.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.708 -179.604 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -50.77 -33.2 22.32 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.363 -179.85 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -55.19 -47.6 75.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.431 -179.913 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' OE1' ' ND2' ' A' ' 81' ' ' ASN . 80.9 mm-40 -58.28 -42.81 87.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.962 0.411 . . . . 0.0 110.385 179.946 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.4 t -64.4 -47.26 90.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.684 179.78 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -59.69 -48.43 81.71 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.324 -179.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -55.37 -42.15 73.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.71 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.5 mtp -61.94 -42.07 98.69 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.437 179.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.3 mt -65.09 -44.65 95.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.987 179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -59.02 -48.1 82.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.929 0.395 . . . . 0.0 110.8 -178.662 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -60.59 -46.73 89.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.771 -179.626 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.5 -47.37 64.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.352 -179.237 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -69.35 121.65 17.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.069 -179.469 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD12 ' N ' ' A' ' 56' ' ' LEU . 10.8 mp -101.71 -18.97 15.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.256 179.01 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 27.0 p-10 -101.95 6.9 41.51 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.423 179.985 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.06 44.93 19.81 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.567 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 37.3 p-10 -88.21 -22.06 24.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.783 0.325 . . . . 0.0 110.534 179.988 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.567 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 95.19 -11.26 69.33 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.967 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.457 ' H ' ' CG ' ' A' ' 59' ' ' ASP . 31.5 mt-30 -113.44 118.0 33.29 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.601 -179.688 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 81.7 t -82.55 108.03 15.02 Favored 'Isoleucine or valine' 0 C--O 1.234 0.252 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.201 179.942 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.598 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 0.5 OUTLIER -83.63 162.46 20.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.184 0.516 . . . . 0.0 110.728 -179.841 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.515 ' O ' ' N ' ' A' ' 67' ' ' PHE . 54.3 t80 -49.46 -69.39 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.839 -179.795 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.425 ' C ' ' O ' ' A' ' 64' ' ' TYR . 3.9 pt-20 -36.45 -48.4 0.67 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.877 -179.574 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.421 ' H ' ' HG3' ' A' ' 65' ' ' GLU . 67.8 mt-10 -55.69 -39.12 70.56 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.601 0.715 . . . . 0.0 110.619 -179.636 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.515 ' N ' ' O ' ' A' ' 64' ' ' TYR . 56.3 t80 -69.18 -42.03 76.4 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.634 179.418 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.526 ' O ' ' SD ' ' A' ' 72' ' ' MET . 72.2 t -57.35 -52.98 49.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.722 -178.723 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 70' ' ' MET . 2.0 ptpp? -56.76 -39.61 74.33 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.441 179.779 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.477 ' N ' ' HG3' ' A' ' 69' ' ' LYS . 85.4 mmm -63.74 -43.03 97.71 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.478 179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 77.2 mmm -63.14 -31.68 72.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 123.482 0.489 . . . . 0.0 110.019 179.618 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -69.29 -45.99 68.28 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.577 179.006 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.577 ' O ' ' N ' ' A' ' 75' ' ' ARG . 2.4 p -62.18 -67.4 0.42 Allowed 'General case' 0 C--O 1.221 -0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.467 -179.469 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.497 ' C ' ' H ' ' A' ' 76' ' ' GLY . 35.3 m -32.06 -31.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 O-C-N 123.726 0.641 . . . . 0.0 110.673 -179.325 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.577 ' N ' ' O ' ' A' ' 73' ' ' THR . 34.5 ttm180 -51.46 -9.01 0.06 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.155 178.888 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.497 ' H ' ' C ' ' A' ' 74' ' ' VAL . . . 136.13 -3.47 3.72 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.911 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -81.67 -92.42 0.54 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 179.804 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.494 ' H ' ' HB ' ' A' ' 73' ' ' THR . . . -69.84 -137.41 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.87 -0.892 . . . . 0.0 110.87 -179.806 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -152.37 175.01 31.19 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.868 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.403 ' O ' ' CB ' ' A' ' 84' ' ' SER . . . 164.04 118.78 0.46 Allowed Glycine 0 C--O 1.221 -0.671 0 N-CA-C 110.582 -1.007 . . . . 0.0 110.582 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.431 ' OD1' ' N ' ' A' ' 82' ' ' GLY . 29.3 p-10 -74.44 -47.79 31.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.275 0.559 . . . . 0.0 110.704 -179.577 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.431 ' N ' ' OD1' ' A' ' 81' ' ' ASN . . . -76.41 -41.85 24.35 Favored Glycine 0 CA--C 1.527 0.823 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.494 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 89.1 m95 -63.94 -46.42 84.8 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.982 0.42 . . . . 0.0 110.153 -179.638 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 80' ' ' GLY . 42.0 t -61.25 -33.58 73.75 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.098 179.454 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -66.12 -40.69 90.88 Favored 'General case' 0 CA--C 1.519 -0.226 0 C-N-CA 120.526 -0.47 . . . . 0.0 110.949 178.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 18.2 tp -66.86 -34.06 76.96 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.28 179.501 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 90' ' ' PHE . 1.2 tpm_? -71.89 -65.75 0.73 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.288 0.566 . . . . 0.0 110.407 -179.624 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -45.61 -40.29 8.75 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.27 -179.404 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -69.54 -21.53 63.64 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.053 179.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.534 ' CD1' ' O ' ' A' ' 86' ' ' LEU . 2.6 m-85 -82.61 -97.11 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.56 -179.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.49 ' O ' ' NH1' ' A' ' 87' ' ' ARG . 40.0 t -164.38 145.96 8.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.471 -179.415 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 91' ' ' SER . 6.4 t . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.569 179.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.433 -1.467 . . . . 0.0 109.433 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.48 ' ND1' ' C ' ' A' ' 1' ' ' GLY . 8.3 m80 69.05 -21.58 0.15 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.722 0.296 . . . . 0.0 110.751 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.56 ' H ' ' C ' ' A' ' 1' ' ' GLY . 61.0 mtt -64.06 -40.13 95.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.483 -179.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -150.57 156.7 41.91 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.554 -179.993 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 p -73.72 80.92 1.56 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.742 -179.921 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -58.0 -41.69 83.61 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.16 -179.212 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.97 -57.35 8.8 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.453 179.747 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -51.9 -47.34 64.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.412 . . . . 0.0 110.345 -179.646 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.509 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.5 OUTLIER -64.65 -39.79 94.3 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.253 179.784 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 77.6 tt0 -58.95 -50.21 74.91 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.821 0.344 . . . . 0.0 110.369 -179.75 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 74.3 mt -60.48 -41.78 94.9 Favored 'General case' 0 CA--C 1.515 -0.378 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.264 -179.5 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 23.8 mmtp -66.51 -51.78 53.01 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.559 -179.877 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -55.55 -54.5 43.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.77 -45.98 81.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.315 179.871 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -53.01 -45.78 68.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.534 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -62.22 -34.87 77.31 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.553 179.695 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.7 t -69.59 -43.2 80.6 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 C-N-CA 120.195 -0.602 . . . . 0.0 111.211 -179.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CE1' HG11 ' A' ' 34' ' ' VAL . 24.4 m-85 -73.17 -41.57 63.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.578 179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.2 t0 -79.0 64.91 4.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.298 -179.292 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.9 tptp -58.41 -45.05 89.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.677 -179.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 21.1 p30 -67.66 -20.26 65.29 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.395 -179.545 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.522 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 34.9 tt0 61.03 32.78 19.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.427 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.414 ' OD1' ' OD1' ' A' ' 21' ' ' ASP . 48.3 p-10 -92.68 -1.81 56.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.492 -0.322 . . . . 0.0 110.327 -179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 79.0 9.73 86.84 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.763 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 80.1 m-85 -143.34 117.51 9.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.694 0.283 . . . . 0.0 110.604 -179.76 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 83.8 mt -84.75 138.24 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.397 179.88 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.0 m -123.23 155.11 37.78 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.386 -179.77 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.87 -40.69 2.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.551 -179.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.53 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -59.1 -47.76 84.08 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 -179.509 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.461 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.9 mt-10 -66.47 -43.79 84.49 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.459 179.579 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.6 tp -62.67 -44.99 94.84 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 60.3 ttm-85 -62.2 -44.85 95.66 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.404 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.53 ' ND1' ' O ' ' A' ' 29' ' ' SER . 30.2 m170 -58.64 -41.42 85.97 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.276 -179.051 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG11 ' CE1' ' A' ' 18' ' ' PHE . 84.3 t -67.22 -41.52 86.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.728 -179.92 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 19.2 mmt -61.91 -42.26 98.88 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.438 -179.306 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 36.9 mm -67.73 -43.78 86.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.561 -179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -59.6 -30.02 68.39 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.915 -179.831 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 25.1 mt -78.17 5.46 10.14 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.657 179.881 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.04 20.5 79.33 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.682 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -111.53 133.83 53.54 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 -179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -113.66 97.24 6.3 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.916 179.931 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.3 mt -104.87 -175.75 2.88 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.843 -179.111 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.57 152.21 27.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.222 0.534 . . . . 0.0 110.715 -179.596 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.43 -43.26 71.42 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.204 -179.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -48.72 -44.43 38.22 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.45 -179.835 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.79 -40.18 96.53 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.895 0.379 . . . . 0.0 110.711 -179.953 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 79.0 t -61.39 -47.39 93.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.578 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.15 -46.28 91.19 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.226 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -56.14 -35.13 66.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.519 179.86 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.1 mtp -72.79 -42.46 63.89 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.927 179.068 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 87.1 mt -66.8 -47.6 82.34 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.195 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.183 -179.601 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.414 ' HG3' ' H ' ' A' ' 53' ' ' GLU . 0.0 OUTLIER -67.28 -45.91 75.2 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.334 -179.975 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' H ' ' HG3' ' A' ' 52' ' ' LYS . 47.3 tp10 -60.97 -34.71 75.18 Favored 'General case' 0 N--CA 1.441 -0.922 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 -179.665 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.406 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -83.89 -43.73 15.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.739 -179.546 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -71.8 128.38 35.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.56 ' N ' HD12 ' A' ' 56' ' ' LEU . 10.0 mp -96.04 -7.57 35.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 33.9 p-10 -115.52 6.1 14.59 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.509 179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.97 43.85 8.64 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 179.655 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 19.5 p30 -82.83 -16.21 48.59 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.743 0.306 . . . . 0.0 110.698 179.988 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 92.88 0.3 68.88 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -131.08 131.52 44.27 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-O 120.899 0.381 . . . . 0.0 110.42 -179.938 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.0 t -85.46 124.5 40.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.253 -179.762 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . 0.83 HD22 ' H ' ' A' ' 65' ' ' GLU . 2.4 t30 -88.25 158.34 18.51 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.438 ' N ' ' ND2' ' A' ' 63' ' ' ASN . 80.6 t80 -53.23 -47.99 68.53 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.635 -179.286 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.83 ' H ' HD22 ' A' ' 63' ' ' ASN . 15.1 pt-20 -59.98 -41.14 91.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.823 0.344 . . . . 0.0 110.551 -179.778 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' N ' ' CG ' ' A' ' 65' ' ' GLU . 98.4 mt-10 -63.45 -35.69 81.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.453 0.644 . . . . 0.0 110.247 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -68.68 -45.4 71.77 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.967 179.447 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 77.6 t -61.96 -51.9 66.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.567 0 CA-C-O 121.073 0.463 . . . . 0.0 111.43 -178.783 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.36 -40.5 90.98 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.327 -179.227 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.783 ' O ' HG23 ' A' ' 74' ' ' VAL . 74.6 mmm -64.19 -40.64 96.52 Favored 'General case' 0 N--CA 1.448 -0.552 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.747 -179.804 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.512 ' SD ' ' CD ' ' A' ' 87' ' ' ARG . 26.5 tpp -62.33 -30.07 70.9 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.185 -179.911 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 67.9 mtt -85.16 -60.19 2.11 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.95 179.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.443 ' C ' ' H ' ' A' ' 75' ' ' ARG . 58.2 m -46.9 -31.31 3.03 Favored 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.707 -179.572 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.783 HG23 ' O ' ' A' ' 70' ' ' MET . 17.1 t -55.33 -7.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.335 179.689 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 74' ' ' VAL . 13.2 ptt180 -35.55 96.06 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.405 0.622 . . . . 0.0 109.796 179.526 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 74' ' ' VAL . . . 74.16 -68.48 1.7 Allowed Glycine 0 CA--C 1.525 0.689 0 N-CA-C 109.322 -1.511 . . . . 0.0 109.322 -178.025 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -135.69 -140.67 4.22 Favored Glycine 0 C--N 1.342 0.877 0 N-CA-C 109.288 -1.525 . . . . 0.0 109.288 179.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 108.6 5.81 31.4 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.071 -0.812 . . . . 0.0 111.071 -179.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 91.36 89.6 1.4 Allowed Glycine 0 N--CA 1.46 0.287 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -178.42 82.87 0.06 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.9 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -73.51 -45.71 52.13 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-O 121.457 0.646 . . . . 0.0 109.72 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -74.22 -39.92 42.95 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 178.788 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 83.3 m95 -61.5 -42.82 99.37 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 179.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 75.5 m -62.28 -39.17 92.05 Favored 'General case' 0 C--O 1.239 0.532 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.95 179.219 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -61.54 -42.75 99.29 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.454 178.738 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 57.2 tp -69.54 -42.82 74.09 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.069 0.461 . . . . 0.0 110.336 179.534 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.576 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.0 OUTLIER -65.16 -15.75 62.76 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.343 -179.075 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -86.68 -39.95 15.56 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.895 179.294 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -70.64 -2.88 15.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.762 -179.583 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -101.54 42.16 1.15 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 121.305 0.574 . . . . 0.0 110.257 179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 76.4 p -52.63 -40.77 63.11 Favored 'General case' 0 C--N 1.321 -0.659 0 C-N-CA 120.569 -0.452 . . . . 0.0 110.497 179.886 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.539 179.802 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.294 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 71.05 -47.89 0.66 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.826 0.346 . . . . 0.0 110.472 -179.929 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 84.6 mtp -64.95 -39.74 93.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.437 179.979 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 54.7 p-10 -171.43 162.43 6.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.613 179.946 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.478 ' O ' ' OE1' ' A' ' 9' ' ' GLU . 60.7 p -72.95 87.83 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.362 179.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -59.38 -40.28 86.04 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -45.09 -58.13 3.42 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.586 179.977 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 74.3 mm-40 -49.97 -44.84 51.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.608 179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.542 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 9.9 mp0 -68.47 -37.37 80.11 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.715 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 74.5 tt0 -62.49 -54.1 44.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.617 -179.64 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 7.8 mp -60.82 -42.14 97.1 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.517 -179.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 42.6 mmtt -67.31 -52.08 44.75 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.6 -0.44 . . . . 0.0 111.171 -179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.32 -43.37 86.38 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.715 -179.432 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -65.03 -50.11 67.52 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.367 0.603 . . . . 0.0 111.13 -179.957 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 15' ' ' PHE . 38.4 t80 -65.74 -26.47 67.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.478 -179.398 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -73.18 -34.33 65.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.878 -179.489 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 14' ' ' ALA . 34.7 m -85.77 -25.96 6.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.007 -179.694 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 0.2 OUTLIER -61.14 -44.16 97.77 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.711 -179.85 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.467 ' OD2' ' N ' ' A' ' 23' ' ' ASN . 29.2 t0 -85.42 86.48 7.37 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.559 -179.559 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.566 ' HZ3' ' HB3' ' A' ' 33' ' ' HIS . 50.2 mtmt -58.5 -41.04 84.46 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.043 -179.697 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.464 ' OD2' ' OE2' ' A' ' 30' ' ' GLU . 11.7 m-20 -62.91 -30.38 71.5 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.23 179.825 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 72.17 30.06 2.17 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.644 179.932 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 1.4 m120 -88.95 6.69 38.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 77.01 -19.57 3.4 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.884 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.428 ' H ' ' C ' ' A' ' 23' ' ' ASN . 96.6 m-85 -111.5 145.25 39.39 Favored 'General case' 0 C--O 1.239 0.536 0 CA-C-O 121.048 0.452 . . . . 0.0 110.333 -179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.1 mt -108.71 142.38 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.244 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.445 -179.869 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.453 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 38.9 t -121.63 -161.34 0.91 Allowed 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.397 -179.755 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.471 ' HB1' HG11 ' A' ' 47' ' ' VAL . . . -85.06 -37.61 20.12 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.458 -179.888 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.403 ' O ' ' CD2' ' A' ' 33' ' ' HIS . 79.0 p -61.21 -41.91 97.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.634 -179.451 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' OE2' ' OD2' ' A' ' 21' ' ' ASP . 64.7 mt-10 -71.66 -46.38 59.15 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.113 0.483 . . . . 0.0 110.787 -179.982 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.428 HD21 ' SD ' ' A' ' 50' ' ' MET . 1.8 tt -62.07 -43.36 99.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.619 -179.387 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 51.9 ttp180 -62.16 -46.23 89.89 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.645 179.142 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.566 ' HB3' ' HZ3' ' A' ' 20' ' ' LYS . 9.3 m-70 -57.59 -43.07 84.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.047 0.451 . . . . 0.0 110.752 -178.851 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.463 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 85.1 t -65.45 -40.94 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.413 179.817 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 12.1 mmt -61.57 -42.29 98.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.436 -179.563 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 37.7 mm -66.25 -43.69 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.519 179.784 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -61.06 -30.49 70.36 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.841 179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 53.6 mt -77.68 3.18 14.6 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.638 179.938 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 77.69 19.7 75.32 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 179.797 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.4 mt-10 -109.8 129.78 55.59 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 110.259 -0.274 . . . . 0.0 110.259 -179.794 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.459 ' C ' HD12 ' A' ' 42' ' ' LEU . 42.9 mmtm -103.85 94.87 5.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.361 -179.438 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.459 HD12 ' C ' ' A' ' 41' ' ' LYS . 11.1 mp -107.62 144.46 34.63 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.133 179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.408 HG22 ' N ' ' A' ' 44' ' ' ASP . 5.3 m -83.67 162.04 20.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.398 -179.804 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.408 ' N ' HG22 ' A' ' 43' ' ' THR . 26.1 t70 -53.68 -46.11 70.57 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.538 -179.618 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -49.72 -45.75 49.51 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.674 -179.8 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 -59.17 -39.83 83.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.763 -179.986 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.471 HG11 ' HB1' ' A' ' 28' ' ' ALA . 77.4 t -64.18 -45.03 97.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.641 -179.995 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -65.23 -50.77 64.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.634 -179.677 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 -51.76 -42.65 62.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.225 0.536 . . . . 0.0 110.338 -179.752 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.428 ' SD ' HD21 ' A' ' 31' ' ' LEU . 0.0 OUTLIER -68.5 -40.79 80.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.409 0.623 . . . . 0.0 110.748 179.489 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.407 ' N ' ' HG2' ' A' ' 50' ' ' MET . 56.3 mt -65.76 -44.49 93.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 115.558 -0.747 . . . . 0.0 110.42 -178.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 7.5 pttp -60.26 -42.1 94.62 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.906 -179.36 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.433 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 62.1 mm-40 -59.09 -53.25 60.47 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.929 -178.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.413 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -68.35 -38.13 81.17 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.942 179.385 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 59' ' ' ASP . 48.7 t0 -73.78 115.71 13.53 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.388 -179.537 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -97.42 -9.97 26.34 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.582 179.893 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 14.6 p-10 -117.69 4.49 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.718 0.294 . . . . 0.0 110.557 179.991 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.445 ' N ' ' OD1' ' A' ' 55' ' ' ASP . . . 44.54 53.45 7.0 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 179.89 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' OD1' ' OD2' ' A' ' 55' ' ' ASP . 31.4 p-10 -91.65 -1.04 57.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.775 0.321 . . . . 0.0 110.644 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 82.28 -3.32 81.91 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.713 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -136.87 145.15 44.03 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.939 0.399 . . . . 0.0 110.335 179.887 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.2 t -96.49 128.52 47.62 Favored 'Isoleucine or valine' 0 C--O 1.235 0.299 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.389 -179.661 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -88.53 157.01 18.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.321 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -54.51 -46.05 73.41 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.476 -179.383 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -57.45 -39.8 77.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.573 179.909 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -65.07 -32.89 74.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.142 0.496 . . . . 0.0 110.445 179.547 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -71.56 -45.49 62.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.86 179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.491 ' O ' ' SD ' ' A' ' 72' ' ' MET . 86.2 t -62.99 -52.11 63.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.399 0 CA-C-O 120.992 0.425 . . . . 0.0 111.152 -178.88 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.489 ' CG ' ' N ' ' A' ' 70' ' ' MET . 16.7 ptmt -60.05 -42.97 95.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.703 -179.388 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.855 ' O ' HG23 ' A' ' 74' ' ' VAL . 75.4 mmm -62.55 -38.85 91.64 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.749 -179.622 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 26.4 ttm -65.91 -32.85 74.59 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.109 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.529 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.1 OUTLIER -73.56 -48.0 36.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.131 -179.987 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.8 m -66.29 -27.53 68.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.746 -179.358 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.855 HG23 ' O ' ' A' ' 70' ' ' MET . 20.7 t -58.61 -45.32 90.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.495 -179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -86.93 100.1 12.34 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.414 -179.709 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.32 -61.31 0.58 Allowed Glycine 0 CA--C 1.526 0.772 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -173.04 48.82 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -94.88 177.55 35.61 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 179.923 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -127.93 144.83 15.51 Favored Glycine 0 N--CA 1.464 0.543 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.823 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 153.16 116.05 0.62 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.824 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -74.66 -44.01 52.45 Favored 'General case' 0 C--O 1.237 0.42 0 CA-C-O 121.111 0.482 . . . . 0.0 110.465 -179.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.15 -36.42 40.48 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 179.477 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 97.3 m95 -67.47 -46.01 74.26 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.877 0.37 . . . . 0.0 110.079 179.848 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.7 t -61.99 -39.04 90.83 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.183 179.767 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.438 ' HA ' ' HE ' ' A' ' 85' ' ' ARG . 0.8 OUTLIER -64.18 -42.07 96.84 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.095 179.369 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 34.3 tp -69.65 -38.9 77.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.435 179.922 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.491 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -81.05 -17.06 51.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.995 -179.671 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 57.4 ttt85 -56.57 -65.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.153 0.501 . . . . 0.0 109.812 -179.969 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.56 ' O ' ' N ' ' A' ' 91' ' ' SER . 25.5 mtpp -58.15 -96.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.015 179.349 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 89' ' ' LYS . 4.2 m-85 28.6 36.35 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.565 0.54 . . . . 0.0 110.823 -179.689 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.56 ' N ' ' O ' ' A' ' 89' ' ' LYS . 19.4 m -146.67 29.84 1.01 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.423 -179.268 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 118.056 -0.973 . . . . 0.0 110.522 179.945 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.453 ' O ' ' CG ' ' A' ' 2' ' ' HIS . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 1' ' ' GLY . 76.3 m80 -156.49 -83.02 0.06 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 110.693 -179.934 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.548 ' O ' ' N ' ' A' ' 5' ' ' THR . 76.5 mtm -62.12 -43.16 99.45 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.874 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.51 ' C ' ' O ' ' A' ' 3' ' ' MET . 62.5 t0 17.2 -82.46 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.811 0 O-C-N 124.433 1.083 . . . . 0.0 111.063 -179.94 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.548 ' N ' ' O ' ' A' ' 3' ' ' MET . 3.7 m -31.07 121.55 0.22 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.858 0.724 . . . . 0.0 109.953 179.139 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -53.69 -43.91 69.33 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.222 -178.567 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.37 -60.26 2.98 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.356 179.659 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -58.09 -62.47 1.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.645 179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -45.47 -52.59 10.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.356 -179.842 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 74.5 tt0 -58.74 -48.22 81.95 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.838 179.876 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.566 HD21 HG22 ' A' ' 68' ' ' VAL . 16.9 tp -54.69 -51.04 66.79 Favored 'General case' 0 N--CA 1.436 -1.129 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.239 -179.307 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 22.5 mmtp -66.28 -51.84 53.37 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.018 -178.408 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -57.85 -52.78 64.08 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.448 -179.442 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.21 -46.04 79.62 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.434 179.928 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.541 ' CZ ' ' OD2' ' A' ' 19' ' ' ASP . 68.7 t80 -54.77 -45.33 74.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.399 -179.409 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.3 tttm -65.99 -36.75 84.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.683 179.666 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 73.5 t -69.59 -36.16 69.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 179.638 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.521 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 2.0 m-85 -69.67 -44.33 70.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.861 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.541 ' OD2' ' CZ ' ' A' ' 15' ' ' PHE . 78.8 m-20 -78.25 70.62 4.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.563 -178.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.1 tttm -57.13 -45.65 83.34 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.093 -179.804 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.472 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 51.3 p-10 -67.9 -22.87 65.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.437 179.798 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.472 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.6 tt0 64.78 39.52 6.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.478 179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 47.8 p-10 -98.12 1.09 47.18 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.287 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.492 ' O ' ' CD1' ' A' ' 25' ' ' TYR . . . 71.47 20.98 78.7 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 179.9 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CD1' ' O ' ' A' ' 24' ' ' GLY . 20.4 m-85 -151.01 114.33 4.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.421 -179.593 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.6 mt -80.1 139.89 17.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.59 179.582 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 59.1 m -128.41 157.71 40.31 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.506 -179.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -44.76 -41.5 6.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.711 -179.616 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.434 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 78.0 p -60.89 -47.1 87.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 0.0 110.736 -179.774 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 34' ' ' VAL . 46.2 mt-10 -68.25 -45.15 73.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.143 0.497 . . . . 0.0 110.658 -179.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.449 HD11 ' SD ' ' A' ' 50' ' ' MET . 0.6 OUTLIER -63.52 -44.56 93.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.749 -179.369 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 46.5 ttp85 -60.49 -46.45 90.05 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.572 179.861 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.434 ' ND1' ' O ' ' A' ' 29' ' ' SER . 27.5 m170 -60.01 -42.19 93.76 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.351 -0.539 . . . . 0.0 110.794 -178.405 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.521 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 71.1 t -65.26 -44.6 95.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.902 -179.733 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 33.6 mtt -60.36 -40.84 92.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.101 -179.501 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.475 HD13 ' O ' ' A' ' 40' ' ' GLU . 33.4 mm -66.47 -43.33 91.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 CA-C-O 120.902 0.382 . . . . 0.0 110.431 179.123 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 55.8 t30 -56.98 -26.25 59.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.855 -179.309 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.404 ' HA ' HD23 ' A' ' 38' ' ' LEU . 92.8 mt -78.01 5.88 8.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.998 179.308 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.79 23.69 77.43 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.919 -0.873 . . . . 0.0 110.919 179.356 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.475 ' O ' HD13 ' A' ' 36' ' ' ILE . 93.9 mt-10 -112.3 135.36 53.07 Favored 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 179.927 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -112.39 95.85 5.68 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.285 -179.78 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 39.1 mt -103.99 -170.66 1.81 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -179.329 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.2 p -111.48 145.87 38.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.6 -179.493 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -54.25 -32.43 56.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.059 -179.873 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.4 mp0 -57.03 -39.99 75.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.485 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -62.48 -38.8 91.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.318 179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.0 t -65.04 -45.23 95.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.593 179.774 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -62.37 -45.73 91.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.484 -179.924 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -64.56 -32.69 74.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.218 0.532 . . . . 0.0 110.374 179.799 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.469 ' CG ' ' CE2' ' A' ' 83' ' ' TRP . 9.8 ttm -67.37 -46.26 73.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 120.936 0.398 . . . . 0.0 111.273 179.731 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.401 ' CG2' ' OD2' ' A' ' 55' ' ' ASP . 96.6 mt -67.95 -46.15 82.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.237 -178.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 10.5 pttp -56.5 -43.83 80.12 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.046 0.45 . . . . 0.0 110.048 -179.221 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.446 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 64.2 mm-40 -60.85 -52.93 62.98 Favored 'General case' 0 CA--C 1.514 -0.404 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.411 -179.218 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.07 -43.65 86.79 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.331 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' OD2' ' CG2' ' A' ' 51' ' ' ILE . 84.5 m-20 -68.84 122.59 18.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.667 -179.227 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.535 HD11 ' NZ ' ' A' ' 69' ' ' LYS . 64.2 mt -94.73 -10.14 32.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.191 179.747 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.487 ' OD1' ' N ' ' A' ' 57' ' ' ASP . 16.5 p-10 -114.57 6.51 15.82 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.613 179.893 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 47.66 48.94 22.65 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.76 -0.936 . . . . 0.0 110.76 179.728 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' A' ' 60' ' ' GLY . 19.8 p30 -89.81 -25.57 21.0 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-O 120.624 0.25 . . . . 0.0 110.66 -179.832 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.515 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 101.62 4.36 52.37 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.021 -0.831 . . . . 0.0 111.021 -179.813 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -133.5 132.91 41.55 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.846 0.355 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 5.8 t -90.25 124.83 43.07 Favored 'Isoleucine or valine' 0 C--O 1.236 0.39 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.078 179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -87.52 164.13 16.29 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.384 179.929 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -54.72 -43.45 72.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.441 -179.692 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 93.6 mt-10 -61.87 -46.65 88.48 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-O 121.05 0.453 . . . . 0.0 110.889 -179.467 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -62.02 -36.82 82.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.205 -179.971 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -64.38 -47.9 77.5 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.736 179.49 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.566 HG22 HD21 ' A' ' 11' ' ' LEU . 61.4 t -60.19 -69.18 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.931 -179.298 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.535 ' NZ ' HD11 ' A' ' 56' ' ' LEU . 16.7 ptmt -42.09 -45.44 3.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.487 -179.204 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.496 ' N ' ' CG ' ' A' ' 69' ' ' LYS . 87.4 mmm -65.9 -41.45 91.48 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.822 -179.904 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 12.3 tpt -55.6 -36.03 66.48 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.277 -179.44 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.1 mmt -82.98 -49.64 9.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.255 179.683 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.465 ' O ' ' CA ' ' A' ' 77' ' ' GLY . 26.4 m -43.64 -27.64 0.32 Allowed 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.075 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.449 HG11 ' HG3' ' A' ' 87' ' ' ARG . 50.7 t -60.49 -44.15 95.79 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.362 -179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -83.84 95.01 8.33 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.482 -179.721 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 104.63 -13.1 50.65 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.865 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 73' ' ' THR . . . -135.12 24.57 3.41 Favored Glycine 0 N--CA 1.464 0.5 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.888 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 77' ' ' GLY . . . -35.09 123.66 0.57 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.795 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.493 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . -146.42 -104.92 0.42 Allowed Glycine 0 CA--C 1.509 -0.281 0 N-CA-C 109.838 -1.305 . . . . 0.0 109.838 -179.27 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.493 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -19.64 136.04 0.01 OUTLIER Glycine 0 C--N 1.35 1.345 0 N-CA-C 111.196 -0.762 . . . . 0.0 111.196 -179.561 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 79.8 m-20 -75.22 -39.64 59.87 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 121.225 0.536 . . . . 0.0 111.044 -179.043 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -69.73 -47.21 49.87 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 179.74 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.469 ' CE2' ' CG ' ' A' ' 50' ' ' MET . 93.7 m95 -61.97 -44.04 97.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.136 -179.53 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 12.6 t -58.43 -43.42 88.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.762 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.576 ' NH1' HH21 ' A' ' 88' ' ' ARG . 16.1 mmm180 -67.87 -38.92 83.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.079 0.466 . . . . 0.0 110.766 179.432 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.5 tt -65.18 -30.92 71.87 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.573 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.449 ' HG3' HG11 ' A' ' 74' ' ' VAL . 0.0 OUTLIER -85.21 -60.53 2.01 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.573 -179.446 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.576 HH21 ' NH1' ' A' ' 85' ' ' ARG . 73.0 ttp85 -39.5 -45.67 1.59 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.07 -179.031 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 42.4 tttp -132.0 87.7 2.47 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.643 179.264 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.476 ' O ' ' C ' ' A' ' 91' ' ' SER . 54.7 t80 -93.83 164.35 13.15 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 178.683 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.521 ' OG ' ' N ' ' A' ' 92' ' ' SER . 94.3 p -23.78 -82.64 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.714 0 O-C-N 123.997 0.811 . . . . 0.0 111.009 -179.806 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.521 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.5 t . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.606 179.007 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.249 0 N-CA-C 109.517 -1.433 . . . . 0.0 109.517 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.43 ' O ' ' O ' ' A' ' 3' ' ' MET . 80.6 m80 52.56 -165.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 0.0 110.505 -179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 2' ' ' HIS . 77.3 mtm 51.27 103.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.584 -179.861 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 6' ' ' ASP . 36.7 m-20 -91.81 -42.62 9.99 Favored 'General case' 0 CA--C 1.513 -0.469 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.462 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' ALA . 35.2 p -28.47 -34.81 0.01 OUTLIER 'General case' 0 C--N 1.344 0.362 0 O-C-N 123.79 0.681 . . . . 0.0 110.529 -179.832 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.607 ' N ' ' O ' ' A' ' 4' ' ' ASP . 97.3 m-20 -46.44 -16.19 0.03 OUTLIER 'General case' 0 C--O 1.235 0.331 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.316 178.779 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 5' ' ' THR . . . -86.25 -42.54 13.69 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.118 179.242 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.4 mt-10 -53.56 -52.56 59.32 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.347 -179.794 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 5' ' ' THR . 22.6 mp0 -67.14 -41.94 85.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.62 179.954 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.7 tt0 -60.01 -54.26 48.16 Favored 'General case' 0 C--O 1.231 0.12 0 C-N-CA 120.282 -0.567 . . . . 0.0 111.427 -179.863 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -63.56 -42.13 98.37 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.987 -179.319 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.4 mttm -65.23 -50.94 63.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.891 -179.644 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -54.07 -56.72 15.35 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.416 179.873 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.26 -43.9 79.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.17 179.548 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -55.46 -44.49 76.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.244 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -63.09 -34.4 77.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.4 t -72.12 -37.06 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.486 179.342 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.48 ' CE1' HD12 ' A' ' 31' ' ' LEU . 2.1 m-85 -62.94 -45.57 91.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.785 179.969 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 25' ' ' TYR . 53.0 m-20 -79.73 72.09 6.42 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.951 -179.442 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -56.43 -44.32 80.3 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.046 -179.982 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.544 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 2.8 p-10 -71.08 -22.55 62.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.597 179.505 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 66.53 34.97 5.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.731 179.776 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.507 ' OD1' ' N ' ' A' ' 25' ' ' TYR . 51.6 p30 -84.27 -1.9 56.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.255 -179.984 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.443 ' O ' ' CG ' ' A' ' 25' ' ' TYR . . . 80.92 20.52 65.21 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 179.912 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 88.7 m-85 -155.46 152.53 29.07 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.818 0.342 . . . . 0.0 110.575 -179.799 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 88.2 mt -108.59 135.32 47.77 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.852 0.358 . . . . 0.0 110.442 -179.95 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 51.4 p -131.13 157.43 43.14 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.482 -179.728 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -41.7 -40.36 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.635 -179.711 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 80.0 p -59.97 -49.17 78.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 78.6 mt-10 -66.16 -44.91 82.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.057 0.456 . . . . 0.0 110.381 179.995 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 18' ' ' PHE . 4.7 tp -61.61 -43.06 99.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.673 -179.895 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 54.3 ttp180 -61.86 -45.24 94.65 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.743 179.638 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.561 ' CE1' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -57.99 -40.58 81.05 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 121.06 0.457 . . . . 0.0 110.112 -178.644 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.561 HG23 ' CE1' ' A' ' 33' ' ' HIS . 54.2 t -65.65 -42.53 92.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.781 -179.15 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 20.0 mmt -60.76 -40.48 92.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.446 -178.624 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.3 mm -69.67 -43.41 80.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.907 179.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -58.25 -31.22 67.2 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.132 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 69.1 mt -77.84 8.48 4.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.668 179.627 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 71.39 27.34 71.67 Favored Glycine 0 CA--C 1.518 0.272 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.84 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -119.82 141.04 49.87 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 110.384 -179.83 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -114.59 101.59 9.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.329 -179.959 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 28.6 mt -112.35 152.07 29.01 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.203 -179.746 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.1 m -85.27 160.01 19.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.595 -179.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -51.32 -42.3 61.14 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.271 -179.961 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.8 tp10 -46.63 -50.84 17.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.51 -179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 mt-10 -57.26 -41.4 79.6 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.714 0.769 . . . . 0.0 110.708 -179.908 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.9 t -68.0 -41.42 84.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.763 179.608 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -64.55 -51.26 63.76 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.232 -178.143 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -60.03 -33.92 72.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.337 -179.381 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.659 ' SD ' ' N ' ' A' ' 83' ' ' TRP . 16.0 mmm -64.35 -42.86 96.02 Favored 'General case' 0 C--O 1.239 0.53 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.714 179.204 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.459 ' O ' ' N ' ' A' ' 55' ' ' ASP . 90.9 mt -64.4 -42.38 95.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.447 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.39 179.751 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.424 ' O ' ' O ' ' A' ' 55' ' ' ASP . 68.1 mttm -59.03 -47.22 86.01 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.441 -179.076 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.9 mm-40 -57.71 -50.14 74.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.674 179.956 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -73.79 -42.11 61.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.078 179.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 57' ' ' ASP . 52.8 t0 -79.83 121.09 24.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.388 -179.485 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.88 HD23 ' H ' ' A' ' 56' ' ' LEU . 1.4 pt? -107.15 -5.83 17.73 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.447 -179.997 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.484 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 17.0 p-10 -118.16 1.62 11.94 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.099 -179.268 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 44.6 62.89 2.68 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 111.237 -0.745 . . . . 0.0 111.237 179.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.468 ' OD1' ' N ' ' A' ' 59' ' ' ASP . 24.4 p-10 -98.95 0.14 43.38 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.736 0.303 . . . . 0.0 110.464 179.586 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 89.63 -10.83 72.15 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -137.18 164.53 28.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.845 0.355 . . . . 0.0 110.36 -179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 t -115.75 131.31 68.52 Favored 'Isoleucine or valine' 0 C--O 1.236 0.365 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.433 179.96 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -91.09 159.16 16.25 Favored 'General case' 0 C--N 1.333 -0.118 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.459 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -52.3 -37.84 56.81 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.818 -179.517 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -61.35 -46.52 89.91 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.895 -179.304 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.489 ' OE2' ' CD2' ' A' ' 56' ' ' LEU . 86.7 mt-10 -62.86 -34.78 78.09 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.263 179.789 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -67.16 -46.4 74.13 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.985 0.421 . . . . 0.0 110.397 179.619 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.442 ' O ' ' SD ' ' A' ' 72' ' ' MET . 71.8 t -59.34 -48.66 86.27 Favored 'Isoleucine or valine' 0 C--O 1.24 0.598 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.683 -179.133 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 70' ' ' MET . 23.5 pttt -57.94 -42.39 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.603 -0.439 . . . . 0.0 109.947 -179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.618 ' O ' HG23 ' A' ' 74' ' ' VAL . 78.7 mmm -63.82 -40.37 96.46 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.886 -178.435 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 17.5 mmt -60.07 -35.82 76.02 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.443 -179.882 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.565 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.3 OUTLIER -77.24 -53.01 8.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.869 179.791 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 75.4 m -48.92 -31.8 7.94 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 -179.444 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 70' ' ' MET . 32.1 t -57.21 -45.55 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.534 -179.562 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -95.98 103.2 15.08 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.062 -179.77 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 114.76 22.7 4.94 Favored Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.744 -0.942 . . . . 0.0 110.744 179.937 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 179.17 -63.94 0.08 OUTLIER Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.995 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 81.83 166.26 37.02 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.056 -0.818 . . . . 0.0 111.056 179.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.485 ' O ' ' C ' ' A' ' 80' ' ' GLY . . . 175.89 -114.57 0.49 Allowed Glycine 0 C--N 1.329 0.184 0 N-CA-C 110.386 -1.086 . . . . 0.0 110.386 -179.856 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' C ' ' O ' ' A' ' 79' ' ' GLY . . . -26.76 145.65 0.01 OUTLIER Glycine 0 CA--C 1.528 0.898 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.852 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.418 ' O ' ' CG ' ' A' ' 85' ' ' ARG . 45.9 t30 -91.63 -26.25 18.78 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.006 0.431 . . . . 0.0 110.655 -179.203 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -76.74 -39.0 30.19 Favored Glycine 0 CA--C 1.527 0.826 0 N-CA-C 111.261 -0.735 . . . . 0.0 111.261 -179.739 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.659 ' N ' ' SD ' ' A' ' 50' ' ' MET . 77.0 m95 -67.01 -47.41 71.54 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 121.056 0.455 . . . . 0.0 110.291 -179.714 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 78.4 p -63.53 -34.98 78.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.26 179.847 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.418 ' CG ' ' O ' ' A' ' 81' ' ' ASN . 25.4 mmt180 -66.37 -42.02 88.59 Favored 'General case' 0 C--N 1.333 -0.142 0 C-N-CA 120.668 -0.413 . . . . 0.0 111.088 179.117 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 tp -70.03 -33.31 71.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.117 179.653 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 88' ' ' ARG . 0.0 OUTLIER -69.49 -67.41 0.48 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.142 -179.759 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 87' ' ' ARG . 87.4 mtm180 -38.67 -32.5 0.08 Allowed 'General case' 0 CA--C 1.522 -0.123 0 CA-C-N 115.998 -0.547 . . . . 0.0 109.887 -179.063 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -128.67 86.4 2.44 Favored 'General case' 0 CA--C 1.518 -0.267 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.395 179.462 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -131.7 -159.61 0.98 Allowed 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 120.92 0.391 . . . . 0.0 110.679 179.048 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 14.9 m -135.55 64.62 1.57 Allowed 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.385 -179.779 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.9 m . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.441 179.809 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' A' ' 3' ' ' MET . . . . . . . . 0 N--CA 1.49 2.273 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . . . . . . . . . 80.5 m80 50.39 11.49 0.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.787 0.327 . . . . 0.0 110.494 179.96 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . 0.467 ' H ' ' C ' ' A' ' 1' ' ' GLY . 52.6 ttm -73.58 -58.62 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.623 -179.955 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' A' ' 4' ' ' ASP . 65.3 t0 -174.84 42.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.328 -179.896 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.6 p -80.44 90.77 5.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.144 0.497 . . . . 0.0 110.902 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.512 ' OD1' ' N ' ' A' ' 7' ' ' ALA . 35.6 p30 -62.65 -24.67 67.73 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.15 -179.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.512 ' N ' ' OD1' ' A' ' 6' ' ' ASP . . . -54.66 -55.93 24.48 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.431 . . . . 0.0 109.902 179.662 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -52.87 -46.94 68.13 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.071 0.462 . . . . 0.0 110.377 179.976 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.48 -42.25 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.418 179.821 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.567 ' OE2' ' NH2' ' A' ' 87' ' ' ARG . 78.9 tt0 -58.33 -48.48 80.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.437 179.898 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 59.6 mt -59.14 -45.2 91.57 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.203 -178.805 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -69.25 -54.23 15.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.116 -0.634 . . . . 0.0 111.384 179.679 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.51 ' O ' HG13 ' A' ' 17' ' ' VAL . 98.8 mt-10 -59.76 -53.23 60.41 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.724 -179.348 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 17' ' ' VAL . . . -57.95 -47.26 83.46 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.418 0.628 . . . . 0.0 110.627 179.756 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -60.57 -28.41 68.45 Favored 'General case' 0 C--N 1.316 -0.869 0 C-N-CA 120.356 -0.537 . . . . 0.0 110.623 -179.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttp -69.7 -36.78 76.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.019 0.438 . . . . 0.0 111.738 -179.642 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.51 HG13 ' O ' ' A' ' 13' ' ' GLU . 0.8 OUTLIER -73.94 -33.04 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.94 179.911 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -58.98 -45.42 90.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.49 -178.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -87.93 73.47 9.14 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.489 179.863 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -53.25 -35.98 60.6 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.045 -179.694 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.442 ' OD2' ' OD1' ' A' ' 23' ' ' ASN . 57.4 p-10 -76.64 -10.71 59.58 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.561 179.676 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 55.04 34.65 22.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.773 ' ND2' ' H ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -82.16 -8.94 59.67 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.708 0.289 . . . . 0.0 110.506 179.913 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.632 ' N ' HD22 ' A' ' 23' ' ' ASN . . . 82.04 15.84 73.77 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.948 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.773 ' H ' ' ND2' ' A' ' 23' ' ' ASN . 58.5 m-85 -149.03 121.35 8.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.533 0.206 . . . . 0.0 110.462 179.976 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 92.9 mt -85.19 137.95 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.652 179.639 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.523 ' OG ' ' N ' ' A' ' 28' ' ' ALA . 30.0 t -117.2 -167.76 1.36 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.28 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.523 ' N ' ' OG ' ' A' ' 27' ' ' SER . . . -83.17 -38.54 22.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.765 -179.709 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.528 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 68.0 m -58.13 -46.16 86.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.649 -178.928 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -68.73 -41.74 78.58 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.735 179.659 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.543 HD23 ' O ' ' A' ' 31' ' ' LEU . 4.7 tt -62.34 -47.34 84.67 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.216 0.531 . . . . 0.0 110.154 -179.401 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.48 ' CZ ' ' O ' ' A' ' 42' ' ' LEU . 10.2 tpt180 -60.32 -43.5 96.34 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.223 179.552 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.528 ' ND1' ' O ' ' A' ' 29' ' ' SER . 28.6 m170 -58.27 -41.82 85.13 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.227 -179.035 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.5 t -62.94 -42.84 98.09 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.328 179.954 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 9.3 mmt -59.99 -41.22 91.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.129 -179.363 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.1 mm -65.53 -42.11 92.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.569 179.468 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -57.43 -29.73 64.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.775 -179.701 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 97.1 mt -82.38 1.71 35.89 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.798 179.234 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 79.14 29.2 51.61 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.874 -0.89 . . . . 0.0 110.874 179.64 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -120.95 133.91 55.29 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.718 0.294 . . . . 0.0 110.649 179.903 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 mptt -109.94 102.45 11.2 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.463 -179.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' O ' ' CZ ' ' A' ' 32' ' ' ARG . 6.6 mp -113.59 145.82 40.66 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.481 -179.995 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.1 157.15 29.6 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.441 -179.513 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -53.36 -34.41 57.5 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.3 -179.749 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -55.32 -45.09 76.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 179.873 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -58.92 -40.27 84.06 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.279 0.562 . . . . 0.0 110.474 -179.906 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.516 HG11 ' HB1' ' A' ' 28' ' ' ALA . 70.5 t -63.31 -47.52 91.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.693 179.745 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -58.62 -45.95 88.1 Favored 'General case' 0 N--CA 1.451 -0.4 0 N-CA-C 109.862 -0.422 . . . . 0.0 109.862 -179.55 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.3 mt-30 -54.64 -42.15 70.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.444 -179.879 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 82.0 mtp -69.37 -42.37 75.28 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.753 -0.379 . . . . 0.0 111.065 179.24 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -67.48 -45.4 85.5 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.183 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.252 -179.904 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.492 ' CG ' ' N ' ' A' ' 53' ' ' GLU . 13.7 pttm -64.33 -46.22 84.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.449 0.642 . . . . 0.0 110.059 -179.469 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.492 ' N ' ' CG ' ' A' ' 52' ' ' LYS . 23.5 tt0 -63.59 -42.7 98.25 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.844 -178.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.425 ' O ' ' CD1' ' A' ' 56' ' ' LEU . . . -73.89 -47.35 38.67 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.035 -179.822 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.509 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 27.7 t0 -71.58 129.45 38.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.651 -179.807 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 56' ' ' LEU . 11.0 mp -103.57 -6.75 21.39 Favored 'General case' 0 N--CA 1.467 0.409 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.558 179.6 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.438 ' OD1' ' OD1' ' A' ' 55' ' ' ASP . 11.4 p30 -110.4 1.85 18.62 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.649 0.261 . . . . 0.0 110.364 179.911 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.474 ' N ' ' OD2' ' A' ' 55' ' ' ASP . . . 46.97 42.61 15.87 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.673 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.509 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 51.5 p-10 -87.66 -23.22 24.29 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.624 0.25 . . . . 0.0 110.382 -179.921 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 59' ' ' ASP . . . 97.11 0.23 60.04 Favored Glycine 0 C--N 1.334 0.435 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -126.85 124.13 38.89 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.813 0.34 . . . . 0.0 110.67 -179.958 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.6 t -89.02 119.18 35.7 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -91.28 170.62 9.84 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.512 -179.743 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.556 ' O ' ' N ' ' A' ' 67' ' ' PHE . 55.8 t80 -50.43 -74.38 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 -179.49 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 86.6 mt-10 -34.17 -47.77 0.3 Allowed 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.104 0.478 . . . . 0.0 111.116 -179.406 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 77.1 mt-10 -59.33 -41.16 88.48 Favored 'General case' 0 C--O 1.239 0.519 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.686 179.537 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.556 ' N ' ' O ' ' A' ' 64' ' ' TYR . 47.7 t80 -65.25 -45.37 84.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.868 179.326 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.41 HG21 ' CE2' ' A' ' 64' ' ' TYR . 84.3 t -60.14 -70.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.884 -179.353 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.446 ' CG ' ' N ' ' A' ' 70' ' ' MET . 17.5 ptmt -41.96 -42.41 2.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.496 -179.72 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.589 ' O ' HG23 ' A' ' 74' ' ' VAL . 67.6 mmm -61.68 -43.64 98.48 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.818 -179.968 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 9.6 ttm -65.14 -29.09 69.91 Favored 'General case' 0 C--N 1.318 -0.767 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.695 -179.84 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 9.8 mmt -71.86 -48.2 47.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.887 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.1 m -63.16 -28.8 70.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.024 0.44 . . . . 0.0 110.428 -179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 70' ' ' MET . 54.5 t -66.94 -19.06 25.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.553 179.671 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 58.0 ttp180 -58.3 -10.64 2.14 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.126 0.488 . . . . 0.0 110.433 -179.493 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 137.78 3.44 2.03 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -83.7 -7.26 86.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.705 -0.958 . . . . 0.0 110.705 179.645 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 153.84 -109.3 0.4 Allowed Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 75.83 156.68 6.33 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.816 -0.914 . . . . 0.0 110.816 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.98 -153.14 23.65 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.59 -1.004 . . . . 0.0 110.59 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -96.64 -29.35 13.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.121 0.486 . . . . 0.0 110.531 179.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -73.33 -49.56 15.05 Favored Glycine 0 CA--C 1.534 1.255 0 C-N-CA 120.534 -0.841 . . . . 0.0 111.703 179.277 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . 0.475 ' CD1' ' CE ' ' A' ' 70' ' ' MET . 83.0 m95 -61.63 -44.2 97.43 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 122.334 -0.51 . . . . 0.0 109.706 -179.873 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 38.4 m -60.8 -34.04 73.91 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.182 179.632 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.5 mmt180 -63.98 -41.64 97.47 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.508 179.048 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.857 HD22 ' CE2' ' A' ' 90' ' ' PHE . 11.2 mt -66.77 -41.49 87.65 Favored 'General case' 0 C--O 1.219 -0.551 0 C-N-CA 120.417 -0.513 . . . . 0.0 111.038 179.052 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . 0.567 ' NH2' ' OE2' ' A' ' 10' ' ' GLU . 1.1 mmt180 -73.73 -15.95 61.2 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.597 -179.635 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 73.6 ttt180 -73.19 -46.82 48.34 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 120.342 -0.543 . . . . 0.0 109.936 179.3 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 10.2 ptpt -140.2 95.82 2.95 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.631 179.311 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.857 ' CE2' HD22 ' A' ' 86' ' ' LEU . 0.1 OUTLIER -126.64 -147.47 0.36 Allowed 'General case' 0 CA--C 1.532 0.287 0 CA-C-O 121.116 0.484 . . . . 0.0 110.24 178.358 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 58.3 p -116.23 92.89 4.02 Favored 'General case' 0 C--O 1.231 0.117 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.223 -179.717 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 t . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.239 179.854 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.316 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' HIS . . . . . 0.451 ' CD2' ' O ' ' A' ' 2' ' ' HIS . 42.5 p-80 -85.63 125.28 33.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.353 179.979 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 96.5 mmm 44.88 60.24 3.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.535 -179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -162.25 5.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.571 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -66.92 96.94 0.45 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.656 -179.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -59.76 -37.48 79.12 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.091 -179.518 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.8 -55.96 26.2 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.897 -0.321 . . . . 0.0 110.466 179.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -54.54 -48.82 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.422 -179.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -65.48 -41.97 92.74 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.452 179.873 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -61.25 -48.92 79.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.584 -179.635 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.588 ' CD2' HG23 ' A' ' 68' ' ' VAL . 2.2 tp -60.24 -45.9 91.64 Favored 'General case' 0 N--CA 1.439 -1.023 0 C-N-CA 120.496 -0.482 . . . . 0.0 110.269 179.926 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -62.86 -47.42 83.42 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.129 0.49 . . . . 0.0 110.224 -177.488 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -61.07 -46.95 88.55 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.11 179.682 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.5 85.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.679 179.722 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -54.15 -45.23 71.98 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 -179.693 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.7 ttmp? -61.88 -34.23 75.64 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.434 179.766 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 93.5 t -70.89 -43.55 76.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.717 179.171 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.402 ' CZ ' HG11 ' A' ' 34' ' ' VAL . 12.0 m-85 -62.28 -44.78 95.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.369 179.961 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.574 ' OD1' ' N ' ' A' ' 22' ' ' GLN . 38.3 t0 -75.42 69.72 2.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.314 -179.482 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 69.7 mmtt -58.75 -47.6 84.11 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.192 -179.309 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.553 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 1.4 p-10 -63.75 -22.11 66.74 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.244 179.588 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . 0.574 ' N ' ' OD1' ' A' ' 19' ' ' ASP . 42.7 tt0 60.53 44.72 11.43 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.501 -179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' A' ' 24' ' ' GLY . 34.3 p-10 -101.47 -38.93 7.78 Favored 'General case' 0 N--CA 1.463 0.189 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.043 179.941 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.533 ' N ' ' OD1' ' A' ' 23' ' ' ASN . . . 121.93 18.91 3.43 Favored Glycine 0 N--CA 1.466 0.67 0 N-CA-C 111.407 -0.677 . . . . 0.0 111.407 -179.736 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -151.06 120.75 6.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.667 0.27 . . . . 0.0 110.5 179.829 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 96.9 mt -83.68 139.19 18.03 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.226 179.563 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 39.2 t -129.98 155.68 45.7 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.694 -179.762 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -42.62 -37.08 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.653 -179.903 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.538 ' O ' ' ND1' ' A' ' 33' ' ' HIS . 11.1 t -59.83 -49.42 77.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.845 -179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.455 ' OE2' ' OD1' ' A' ' 21' ' ' ASP . 66.0 mt-10 -65.68 -42.64 91.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.101 0.477 . . . . 0.0 110.414 -179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.52 -43.18 99.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.63 -179.875 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.1 ttt85 -61.89 -43.75 98.21 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.508 179.504 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' ND1' ' O ' ' A' ' 29' ' ' SER . 32.7 m80 -60.21 -41.7 93.57 Favored 'General case' 0 C--N 1.319 -0.726 0 C-N-CA 120.335 -0.546 . . . . 0.0 110.795 -178.521 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 HG11 ' CZ ' ' A' ' 18' ' ' PHE . 77.1 t -68.0 -40.82 83.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.96 179.683 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.42 ' SD ' HD12 ' A' ' 42' ' ' LEU . 21.1 mmt -63.32 -42.47 98.99 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.901 0.381 . . . . 0.0 111.525 -178.873 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 1.3 mp -69.78 -42.27 80.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 178.605 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -60.15 -26.82 66.58 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.707 -178.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 76.3 mt -81.01 8.47 8.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.078 179.333 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 72.06 25.35 74.88 Favored Glycine 0 CA--C 1.519 0.324 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 179.709 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -116.32 137.82 51.84 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -110.46 94.98 5.28 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.05 0.452 . . . . 0.0 110.385 179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.42 HD12 ' SD ' ' A' ' 35' ' ' MET . 56.7 mt -105.67 145.41 31.09 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.054 -179.858 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 p -73.92 149.47 41.42 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.652 -179.812 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 45' ' ' GLU . 38.7 p-10 -50.52 -28.45 8.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.044 -179.912 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.424 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 97.5 mt-10 -63.12 -39.66 95.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.383 179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -62.23 -43.06 99.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.303 -179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.78 -48.76 86.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.448 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.574 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.5 tp10 -61.91 -47.02 86.81 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.161 -179.543 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -55.15 -41.23 71.54 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.604 -179.794 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 93.3 mtp -64.3 -40.11 95.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.004 0.431 . . . . 0.0 110.753 179.656 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.42 ' O ' ' CB ' ' A' ' 55' ' ' ASP . 94.6 mt -65.69 -43.19 93.78 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.219 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.926 179.15 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.1 mtpm? -61.86 -44.74 96.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.474 -178.943 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -61.77 -47.46 85.07 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.618 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.438 ' O ' HD12 ' A' ' 56' ' ' LEU . . . -75.07 -44.42 47.66 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.516 -179.956 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.465 ' OD2' ' N ' ' A' ' 59' ' ' ASP . 54.9 t0 -71.6 120.52 17.31 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.783 -179.595 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD12 ' O ' ' A' ' 54' ' ' ALA . 4.6 mp -101.65 -8.7 21.57 Favored 'General case' 0 CA--C 1.514 -0.417 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.508 -179.922 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.78 3.69 22.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.18 -179.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 46.57 44.65 16.85 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.465 ' N ' ' OD2' ' A' ' 55' ' ' ASP . 16.2 p30 -102.96 7.25 39.2 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.772 0.32 . . . . 0.0 110.526 -179.813 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.15 9.77 24.05 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.579 -1.008 . . . . 0.0 110.579 179.772 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 98.7 mt-30 -124.71 110.57 14.53 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 121.028 0.442 . . . . 0.0 110.92 -179.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.4 t -88.64 115.63 28.95 Favored 'Isoleucine or valine' 0 C--O 1.237 0.42 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 -179.789 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -82.42 162.28 22.18 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.611 -179.711 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' TYR . . . . . 0.437 ' O ' HG12 ' A' ' 68' ' ' VAL . 84.4 t80 -53.94 -41.76 68.09 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.465 -179.687 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' H ' ' HG2' ' A' ' 65' ' ' GLU . 7.2 pt-20 -59.52 -43.01 93.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.234 0.54 . . . . 0.0 110.192 179.908 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -68.68 -36.44 78.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.272 0.558 . . . . 0.0 109.822 179.633 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 34.4 t80 -67.8 -52.61 35.06 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -179.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.703 HG13 ' N ' ' A' ' 69' ' ' LYS . 7.8 p -59.79 -54.33 36.17 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 121.562 0.696 . . . . 0.0 111.644 -179.503 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.703 ' N ' HG13 ' A' ' 68' ' ' VAL . 0.0 OUTLIER -53.83 -44.05 69.96 Favored 'General case' 0 C--N 1.317 -0.824 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.333 -179.247 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 70' ' ' MET . . . . . 0.667 ' O ' HG23 ' A' ' 74' ' ' VAL . 70.9 mmm -62.11 -39.58 92.98 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.173 -178.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 73.7 mmm -61.1 -33.54 73.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.346 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.539 ' N ' ' SD ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -74.27 -47.78 32.76 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.954 179.464 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.0 m -58.76 -27.04 64.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 70' ' ' MET . 51.8 t -61.06 -45.98 97.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.704 179.494 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -92.06 115.43 28.07 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.181 -179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 111.75 -60.38 0.34 Allowed Glycine 0 N--CA 1.466 0.66 0 N-CA-C 110.814 -0.915 . . . . 0.0 110.814 -179.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -92.39 -53.11 2.05 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.839 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 73.6 112.53 0.07 OUTLIER Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . -155.5 54.45 0.42 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 -179.978 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -175.92 126.97 1.19 Allowed Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 179.816 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 77.7 m-20 -75.88 -45.37 35.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.42 0.628 . . . . 0.0 110.383 179.908 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . -77.05 -43.59 16.45 Favored Glycine 0 CA--C 1.528 0.854 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.494 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 83' ' ' TRP . . . . . . . . . . . . . 93.2 m95 -57.46 -40.57 78.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 -179.837 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 77.9 p -68.98 -36.02 77.38 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.44 179.664 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 94.1 mtt180 -59.77 -45.85 91.0 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.069 -0.653 . . . . 0.0 110.789 179.053 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 6.3 tp -71.73 -38.12 70.5 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-O 121.088 0.471 . . . . 0.0 110.396 179.779 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -13.91 62.35 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.715 -179.029 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -89.99 -38.46 13.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.707 179.311 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -70.17 -7.89 45.45 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.597 -179.62 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -84.4 -93.41 0.08 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.614 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 2.9 m 50.22 72.23 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.522 -179.51 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 30.2 t . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.584 -179.962 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 196' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 209' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_