data_2lhd_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 2lhd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.8 mt-10 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.717 0.294 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 HG21 ' CB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.457 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CB ' HG21 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.735 0.302 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CG ' ' CD1' ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 54' ' ' VAL . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' CG ' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 43' ' ' TRP . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.56 0.219 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.454 HG23 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.695 0.283 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.42 ' CD1' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' HG ' ' CD2' ' A' ' 5' ' ' LEU . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.669 0.271 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CZ2' HG22 ' A' ' 54' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' CZ2' ' A' ' 43' ' ' TRP . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' GLU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.69 0.281 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.44 HG21 ' CB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.431 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 18' ' ' LYS . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 34' ' ' ALA . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.672 0.272 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CE2' HG23 ' A' ' 54' ' ' VAL . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.4 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' CE2' ' A' ' 43' ' ' TRP . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.603 0.239 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CD2' HG21 ' A' ' 54' ' ' VAL . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 43' ' ' TRP . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 18' ' ' LYS . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CE2' HG23 ' A' ' 54' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 43' ' ' TRP . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.461 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.468 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.583 0.23 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CZ2' HG23 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 ' CZ2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' CB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 30' ' ' PHE . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.447 ' CB ' HG21 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' HG23 ' A' ' 54' ' ' VAL . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.447 HG21 ' CB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' CZ2' ' A' ' 43' ' ' TRP . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.788 0.328 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' HG23 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 6' ' ' ILE . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' HG23 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.444 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.444 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CE2' HG21 ' A' ' 54' ' ' VAL . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.444 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 43' ' ' TRP . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.433 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.81 -57.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -77.1 -166.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -30.36 29.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.217 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.56 164.21 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.71 163.54 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.8 mt-10 -98.28 159.45 14.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.752 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 HG21 ' CB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.447 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.42 HD13 ' CG ' ' A' ' 30' ' ' PHE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.5 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' O ' ' N ' ' A' ' 14' ' ' GLU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -131.53 -175.35 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -45.62 -41.03 9.69 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -74.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.229 0.538 . . . . 0.0 111.17 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -160.49 -158.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 140.62 37.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.5 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.1 OUTLIER -98.53 163.43 12.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.262 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.435 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.447 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.403 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.403 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 HG23 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.414 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.457 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.443 ' CB ' HG21 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.446 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.31 -171.72 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -90.16 30.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -142.46 -47.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.488 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.98 144.41 0.44 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -82.18 144.83 30.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.759 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.433 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 -99.78 155.74 17.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.426 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.449 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.462 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.457 ' CG ' ' CD1' ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' HG21 ' A' ' 54' ' ' VAL . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.414 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.443 HG21 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.443 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.503 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.496 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.43 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.31 40.47 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 49.15 28.43 2.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.455 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -144.92 -47.09 0.23 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.35 131.85 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.43 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -82.07 132.98 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.665 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 -95.47 155.83 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.442 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' CG ' HD11 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.423 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.434 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.435 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 43' ' ' TRP . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.433 ' CE1' ' HD3' ' A' ' 50' ' ' LYS . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.408 ' HB3' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.426 HD13 ' CG ' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -132.13 -45.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -133.91 78.76 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 62.41 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.57 6.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.838 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -82.16 163.46 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.499 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 -92.37 159.46 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.423 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.425 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.408 ' CG2' ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.454 HG23 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.43 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.451 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.504 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.49 -46.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.04 -81.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.345 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.7 -66.36 0.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.64 120.94 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -82.08 163.6 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.013 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -89.09 157.97 18.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.496 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.427 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.419 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.419 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.451 ' CD2' ' CD1' ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.42 ' CD1' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.469 HG21 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.473 ' CD1' ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.478 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.49 -81.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -70.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.976 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.2 -75.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 155.4 40.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -88.14 161.76 17.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 -98.21 139.76 33.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.41 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.454 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.43 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.473 ' CD1' ' CD1' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.415 ' CZ2' HG22 ' A' ' 54' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.453 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' CZ2' ' A' ' 43' ' ' TRP . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.476 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.467 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 14' ' ' GLU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.01 162.92 40.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm 62.39 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -47.86 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.651 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.35 -175.44 2.8 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.73 163.36 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.467 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.46 164.28 12.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.624 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 30' ' ' PHE . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.427 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.476 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.44 HG21 ' CB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' CD1' ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.431 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -134.82 68.1 1.48 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.46 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 69.96 -65.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.35 105.92 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.194 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.461 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 1.5 tttm -116.02 142.85 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.728 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.445 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -102.67 154.95 18.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.4 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.486 ' CE1' ' CD ' ' A' ' 18' ' ' LYS . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.445 HG21 ' N ' ' A' ' 34' ' ' ALA . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.445 ' N ' HG21 ' A' ' 33' ' ' ILE . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.477 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.431 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.423 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.4 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.485 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.485 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' O ' ' N ' ' A' ' 14' ' ' GLU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.409 ' HB3' ' HA ' ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.91 -171.05 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -50.85 -33.56 24.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -116.57 97.14 5.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 111.198 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.32 -166.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.415 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -112.39 163.55 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 -105.35 162.8 13.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.446 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CE2' HG23 ' A' ' 54' ' ' VAL . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.482 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.423 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.4 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.485 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' CE2' ' A' ' 43' ' ' TRP . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.409 ' HA ' ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.432 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.47 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.456 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.44 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.34 -39.13 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.68 92.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.337 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -78.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.59 160.58 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.701 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -122.21 163.57 19.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 -91.61 145.85 24.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.532 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.468 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.496 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.422 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.496 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.468 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.406 ' CD2' HG21 ' A' ' 54' ' ' VAL . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.432 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.47 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.456 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG21 ' CD2' ' A' ' 43' ' ' TRP . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.464 ' HB ' HG23 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.455 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.25 108.63 9.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.24 -75.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -139.22 -49.2 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.63 129.29 39.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -111.55 146.92 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.73 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.451 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 -96.17 156.0 16.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.436 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.436 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 18' ' ' LYS . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.416 ' CE2' HG23 ' A' ' 54' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.458 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.464 HG23 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' CE2' ' A' ' 43' ' ' TRP . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.461 ' CD1' ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.468 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' A' ' 7' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -140.38 -44.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -147.37 71.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 71.05 -63.41 0.42 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.13 96.76 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.716 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.458 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 -102.47 160.33 14.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.709 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.478 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.404 ' CZ2' HG23 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.473 ' CD1' ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.468 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 HG23 ' CZ2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.49 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.495 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.455 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.8 mp -155.47 -50.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -165.09 1.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -52.71 -32.12 41.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.5 32.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -82.17 163.56 21.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -110.09 138.21 46.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.455 ' CD2' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.403 ' HB3' ' CD1' ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.457 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.495 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 HG23 ' CB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.44 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD13 ' CG ' ' A' ' 30' ' ' PHE . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.447 ' CB ' HG21 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.437 ' O ' ' HA ' ' A' ' 13' ' ' LYS . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -136.28 -177.55 4.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -74.75 63.68 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.37 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -176.4 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.168 0.508 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.42 160.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -92.27 145.2 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 -107.83 163.54 13.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.455 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.441 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.469 ' CE2' ' HG2' ' A' ' 18' ' ' LYS . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ2' HG23 ' A' ' 54' ' ' VAL . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.437 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.429 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.447 HG21 ' CB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.418 HG23 ' CZ2' ' A' ' 43' ' ' TRP . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.498 ' O ' ' HA ' ' A' ' 15' ' ' GLU . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.49 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.85 98.04 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 68.05 -66.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.14 -43.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.11 88.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.078 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 mttp -82.18 143.96 31.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.531 179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.557 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.1 mp0 -109.81 138.6 45.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.414 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.498 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.479 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.426 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.49 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.438 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.446 ' HB ' HG23 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 14' ' ' GLU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -123.25 99.91 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.44 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.375 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -128.63 -45.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.99 131.27 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.077 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -125.11 144.24 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.394 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.497 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 -108.4 156.88 18.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.444 ' CD ' ' CE2' ' A' ' 30' ' ' PHE . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.499 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.499 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.449 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.505 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.446 HG23 ' HB ' ' A' ' 6' ' ' ILE . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.437 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.425 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.438 ' HA ' ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.523 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' O ' ' N ' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.3 -78.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -48.39 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.307 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -136.08 -54.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.95 -176.47 3.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.881 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.8 pttt -96.38 151.73 19.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 -103.99 172.13 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.176 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.497 ' HB3' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.497 ' CE2' ' HB3' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.418 ' CZ3' ' HG2' ' A' ' 31' ' ' LYS . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.456 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.438 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.477 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.41 HG21 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.45 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.409 ' HB2' ' CG2' ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD11 ' CD2' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.611 ' HA ' ' O ' ' A' ' 14' ' ' GLU . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.49 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.67 -76.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -69.76 0.12 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.77 -54.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.32 167.73 10.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 157.77 23.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.611 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.09 167.16 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.456 ' CZ ' ' HB2' ' A' ' 18' ' ' LYS . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.42 ' CH2' HG23 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.451 ' N ' ' CD1' ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.409 ' CG2' ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.417 ' CB ' ' CD1' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.448 HG23 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' CH2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.444 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.444 ' CD1' ' CD2' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.444 ' HB ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' N ' ' CD1' ' A' ' 7' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -134.74 88.0 2.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm 62.58 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -119.85 -36.31 3.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.54 141.1 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 111.201 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 156.96 39.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.496 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -118.14 140.19 50.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TRP . . . . . 0.432 ' CE2' HG21 ' A' ' 54' ' ' VAL . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.42 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.444 ' CG2' ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 ' CE2' ' A' ' 43' ' ' TRP . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.487 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.648 ' CB ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.626 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' OE1' HD13 ' A' ' 7' ' ' LEU . 4.8 mt-10 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.717 0.294 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 HG11 ' A' ' 54' ' ' VAL . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' HD13 ' A' ' 49' ' ' ILE . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.691 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.648 HG22 ' CB ' ' A' ' 4' ' ' LYS . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.598 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG11 HG12 ' A' ' 39' ' ' VAL . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.682 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.718 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.907 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 HD22 ' A' ' 5' ' ' LEU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HB3' HG23 ' A' ' 2' ' ' THR . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.558 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 9' ' ' LEU . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.709 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 4' ' ' LYS . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.816 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 39' ' ' VAL . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 56' ' ' GLU . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 55' ' ' THR . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD12 ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.614 ' CB ' HG22 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 5' ' ' LEU . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.735 0.302 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.869 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.628 ' HA ' HG11 ' A' ' 39' ' ' VAL . 9.1 t-20 -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 35' ' ' ASN . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HG3' ' A' ' 31' ' ' LYS . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 49' ' ' ILE . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.713 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' THR . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.614 HG22 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 56' ' ' GLU . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' CB ' HG22 ' A' ' 51' ' ' THR . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 5' ' ' LEU . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 7.5 t30 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HA ' HG11 ' A' ' 39' ' ' VAL . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.758 HG21 HD13 ' A' ' 9' ' ' LEU . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 49' ' ' ILE . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 4' ' ' LYS . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.724 ' HB ' HD23 ' A' ' 7' ' ' LEU . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' GLU . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.676 HG22 ' HB3' ' A' ' 19' ' ' GLU . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.806 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.655 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 HD22 ' A' ' 5' ' ' LEU . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.56 0.219 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.418 ' OG1' HD23 ' A' ' 20' ' ' LEU . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.505 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 54' ' ' VAL . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.607 ' CB ' HD13 ' A' ' 49' ' ' ILE . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.739 HG22 ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.836 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.655 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 39' ' ' VAL . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 8' ' ' ASN . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' HG23 ' A' ' 51' ' ' THR . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.642 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD11 HD22 ' A' ' 5' ' ' LEU . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.695 0.283 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 22' ' ' ASP . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' HD23 ' A' ' 20' ' ' LEU . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.684 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 9' ' ' LEU . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.717 ' HA ' HG11 ' A' ' 54' ' ' VAL . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.697 ' HE1' HG23 ' A' ' 39' ' ' VAL . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.429 HG23 ' C ' ' A' ' 4' ' ' LYS . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.793 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 39' ' ' VAL . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.802 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.958 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 5' ' ' LEU . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 55' ' ' THR . 23.0 t-20 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.665 HD22 ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.669 0.271 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HB3' HG23 ' A' ' 2' ' ' THR . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.629 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HD2' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.665 ' OG1' HD22 ' A' ' 9' ' ' LEU . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' HE1' HG12 ' A' ' 39' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.665 ' HB2' HD13 ' A' ' 49' ' ' ILE . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.701 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 7' ' ' LEU . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 8' ' ' ASN . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 55' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.633 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 5' ' ' LEU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 55' ' ' THR . 2.4 m120 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.69 0.281 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' HE2' ' A' ' 4' ' ' LYS . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' HD13 ' A' ' 9' ' ' LEU . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.894 HG13 HG11 ' A' ' 54' ' ' VAL . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 4' ' ' LYS . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG11 HG13 ' A' ' 39' ' ' VAL . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.924 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.613 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 22.3 t-20 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 1.036 HD22 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.924 ' CD1' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 1.036 HG21 HD22 ' A' ' 9' ' ' LEU . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 45' ' ' TYR . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' THR . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.613 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 8' ' ' ASN . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 19' ' ' GLU . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD23 HD11 ' A' ' 7' ' ' LEU . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD11 HD23 ' A' ' 5' ' ' LEU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.606 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.672 0.272 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.906 HD22 ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.906 ' OG1' HD22 ' A' ' 20' ' ' LEU . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' HA ' HG21 ' A' ' 39' ' ' VAL . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.705 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.851 HG23 ' OG1' ' A' ' 53' ' ' THR . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB2' HD13 ' A' ' 49' ' ' ILE . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.721 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.851 ' OG1' HG23 ' A' ' 44' ' ' THR . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.879 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.923 HD12 ' CD1' ' A' ' 30' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.713 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.833 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' HG23 ' A' ' 55' ' ' THR . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD13 HG21 ' A' ' 38' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.603 0.239 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.879 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.923 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.996 HG21 HD13 ' A' ' 9' ' ' LEU . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 35' ' ' ASN . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB3' HD13 ' A' ' 49' ' ' ILE . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 46' ' ' LYS . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HB ' ' A' ' 54' ' ' VAL . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.758 ' HB3' HG23 ' A' ' 55' ' ' THR . 23.3 t-20 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.966 HD13 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 18' ' ' LYS . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 33' ' ' ILE . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.966 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.547 ' HE1' HG12 ' A' ' 39' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 HG23 ' A' ' 49' ' ' ILE . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.637 ' HB ' HD23 ' A' ' 7' ' ' LEU . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 8' ' ' ASN . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 19' ' ' GLU . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HE3' HD11 ' A' ' 6' ' ' ILE . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 5' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.562 ' HB3' HG23 ' A' ' 55' ' ' THR . 6.0 t-20 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.583 0.23 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.58 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 4' ' ' LYS . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.804 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.624 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.617 HG22 ' HG3' ' A' ' 56' ' ' GLU . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 55' ' ' THR . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 5' ' ' LEU . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' HG23 ' A' ' 55' ' ' THR . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD22 ' HB ' ' A' ' 38' ' ' THR . 1.8 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 3' ' ' TYR . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' HG13 ' A' ' 21' ' ' VAL . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 39' ' ' VAL . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' A' ' 51' ' ' THR . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' HD13 ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.699 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' LYS . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' HB ' HD23 ' A' ' 7' ' ' LEU . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.534 HG21 ' HD2' ' A' ' 50' ' ' LYS . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.873 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.052 HD23 HD11 ' A' ' 7' ' ' LEU . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.653 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD11 HD23 ' A' ' 5' ' ' LEU . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.746 ' HB3' HG22 ' A' ' 55' ' ' THR . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.873 HG22 ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HE3' ' A' ' 18' ' ' LYS . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' HA ' HG21 ' A' ' 39' ' ' VAL . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.945 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HG11 ' A' ' 54' ' ' VAL . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HE2' ' A' ' 31' ' ' LYS . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.845 HG11 HG12 ' A' ' 39' ' ' VAL . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.746 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' CB ' HG22 ' A' ' 51' ' ' THR . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.659 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.709 ' HB2' HG23 ' A' ' 55' ' ' THR . 3.3 m120 -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.873 HD21 ' OE1' ' A' ' 14' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.873 ' OE1' HD21 ' A' ' 9' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.788 0.328 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.687 ' HG3' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 18' ' ' LYS . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.868 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.949 HG12 HG11 ' A' ' 54' ' ' VAL . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 49' ' ' ILE . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.54 HG22 ' CB ' ' A' ' 4' ' ' LYS . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.847 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.659 HG22 ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 39' ' ' VAL . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 8' ' ' ASN . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 7' ' ' LEU . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 5' ' ' LEU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 38' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 26' ' ' ALA . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB2' HD23 ' A' ' 20' ' ' LEU . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.656 HG21 HD13 ' A' ' 9' ' ' LEU . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.89 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 46' ' ' LYS . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.89 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.496 ' HB ' HD23 ' A' ' 7' ' ' LEU . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 8' ' ' ASN . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.834 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.697 ' C ' HD13 ' A' ' 7' ' ' LEU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD13 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.784 ' HZ2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD13 ' HZ2' ' A' ' 18' ' ' LYS . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.407 ' HB ' HD23 ' A' ' 20' ' ' LEU . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 20' ' ' LEU . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.591 ' HA ' HG11 ' A' ' 39' ' ' VAL . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.914 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' ' 35' ' ' ASN . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.876 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 49' ' ' ILE . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 4' ' ' LYS . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.876 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 19' ' ' GLU . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.749 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.499 ' HB3' HG23 ' A' ' 55' ' ' THR . 11.3 t-20 -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB2' HG22 ' A' ' 2' ' ' THR . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 39' ' ' VAL . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 ' HB1' ' A' ' 34' ' ' ALA . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' HG22 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.604 ' CB ' HD13 ' A' ' 49' ' ' ILE . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.678 HG22 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 8' ' ' ASN . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 6' ' ' ILE . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 5' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 38' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 6' ' ' ILE . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CA ' ' A' ' 26' ' ' ALA . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.458 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' CA ' HD22 ' A' ' 20' ' ' LEU . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.654 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 38' ' ' THR . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.765 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 39' ' ' VAL . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.487 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.648 ' CB ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.626 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.81 -57.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -77.1 -166.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -30.36 29.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.217 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.56 164.21 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.71 163.54 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' OE1' HD13 ' A' ' 7' ' ' LEU . 4.8 mt-10 -98.28 159.45 14.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.752 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 HG11 ' A' ' 54' ' ' VAL . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' HD13 ' A' ' 49' ' ' ILE . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.691 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.648 HG22 ' CB ' ' A' ' 4' ' ' LYS . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.598 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG11 HG12 ' A' ' 39' ' ' VAL . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.682 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.718 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.907 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 HD22 ' A' ' 5' ' ' LEU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -131.53 -175.35 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -45.62 -41.03 9.69 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -74.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.229 0.538 . . . . 0.0 111.17 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.736 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -160.49 -158.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 140.62 37.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -98.53 163.43 12.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.262 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HB3' HG23 ' A' ' 2' ' ' THR . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.558 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 9' ' ' LEU . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.709 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 4' ' ' LYS . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.816 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 39' ' ' VAL . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 56' ' ' GLU . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 55' ' ' THR . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD12 ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' CB ' HG22 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 5' ' ' LEU . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -140.31 -171.72 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -90.16 30.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HB2' HD12 ' A' ' 9' ' ' LEU . 1.2 mp0 -142.46 -47.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.488 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.98 144.41 0.44 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -82.18 144.83 30.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.759 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 -99.78 155.74 17.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.869 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.628 ' HA ' HG11 ' A' ' 39' ' ' VAL . 9.1 t-20 -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 35' ' ' ASN . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HG3' ' A' ' 31' ' ' LYS . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 49' ' ' ILE . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.713 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' THR . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.614 HG22 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 56' ' ' GLU . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' CB ' HG22 ' A' ' 51' ' ' THR . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 5' ' ' LEU . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 26.6 t-20 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 38' ' ' THR . 0.7 OUTLIER -126.31 40.47 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 49.15 28.43 2.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.455 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -144.92 -47.09 0.23 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.35 131.85 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -82.07 132.98 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.665 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 -95.47 155.83 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HA ' HG11 ' A' ' 39' ' ' VAL . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.758 HG21 HD13 ' A' ' 9' ' ' LEU . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 49' ' ' ILE . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 4' ' ' LYS . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.724 ' HB ' HD23 ' A' ' 7' ' ' LEU . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' GLU . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.676 HG22 ' HB3' ' A' ' 19' ' ' GLU . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.806 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.655 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 HD22 ' A' ' 5' ' ' LEU . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -132.13 -45.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -133.91 78.76 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 62.41 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.57 6.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.838 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -82.16 163.46 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 -92.37 159.46 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.418 ' OG1' HD23 ' A' ' 20' ' ' LEU . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.505 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 54' ' ' VAL . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.607 ' CB ' HD13 ' A' ' 49' ' ' ILE . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.739 HG22 ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.836 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.655 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 39' ' ' VAL . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 8' ' ' ASN . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' HG23 ' A' ' 51' ' ' THR . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.642 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD11 HD22 ' A' ' 5' ' ' LEU . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -134.49 -46.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.04 -81.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.345 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.7 -66.36 0.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.64 120.94 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -82.08 163.6 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.013 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -89.09 157.97 18.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.496 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 22' ' ' ASP . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' HD23 ' A' ' 20' ' ' LEU . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.684 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 9' ' ' LEU . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.717 ' HA ' HG11 ' A' ' 54' ' ' VAL . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.697 ' HE1' HG23 ' A' ' 39' ' ' VAL . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.429 HG23 ' C ' ' A' ' 4' ' ' LYS . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.793 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 39' ' ' VAL . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.802 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.958 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 5' ' ' LEU . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 55' ' ' THR . 23.0 t-20 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD22 ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER -136.49 -81.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -70.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.976 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.2 -75.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 155.4 40.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -88.14 161.76 17.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 -98.21 139.76 33.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HB3' HG23 ' A' ' 2' ' ' THR . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.629 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HD2' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.665 ' OG1' HD22 ' A' ' 9' ' ' LEU . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' HE1' HG12 ' A' ' 39' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.665 ' HB2' HD13 ' A' ' 49' ' ' ILE . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.701 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 7' ' ' LEU . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 8' ' ' ASN . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 55' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 5' ' ' LEU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 55' ' ' THR . 1.3 m-80 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -155.01 162.92 40.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm 62.39 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -47.86 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.651 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.35 -175.44 2.8 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -114.73 163.36 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.46 164.28 12.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.624 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' HE2' ' A' ' 4' ' ' LYS . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' HD13 ' A' ' 9' ' ' LEU . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.894 HG13 HG11 ' A' ' 54' ' ' VAL . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 4' ' ' LYS . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG11 HG13 ' A' ' 39' ' ' VAL . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.924 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 1.5 t30 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.036 HD22 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER -134.82 68.1 1.48 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.46 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 69.96 -65.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.35 105.92 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.194 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 1.5 tttm -116.02 142.85 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.728 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -102.67 154.95 18.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.924 ' CD1' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 1.036 HG21 HD22 ' A' ' 9' ' ' LEU . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 45' ' ' TYR . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' THR . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.613 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 8' ' ' ASN . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 19' ' ' GLU . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD23 HD11 ' A' ' 7' ' ' LEU . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD11 HD23 ' A' ' 5' ' ' LEU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.606 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER -120.91 -171.05 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -50.85 -33.56 24.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -116.57 97.14 5.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 111.198 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.32 -166.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.415 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -112.39 163.55 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 -105.35 162.8 13.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.906 HD22 ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.906 ' OG1' HD22 ' A' ' 20' ' ' LEU . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' HA ' HG21 ' A' ' 39' ' ' VAL . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.705 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.851 HG23 ' OG1' ' A' ' 53' ' ' THR . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB2' HD13 ' A' ' 49' ' ' ILE . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.721 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.851 ' OG1' HG23 ' A' ' 44' ' ' THR . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.879 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.923 HD12 ' CD1' ' A' ' 30' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.713 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.833 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' HG23 ' A' ' 55' ' ' THR . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD13 HG21 ' A' ' 38' ' ' THR . 0.3 OUTLIER -125.34 -39.13 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.68 92.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.337 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -78.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.59 160.58 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.701 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -122.21 163.57 19.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 -91.61 145.85 24.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.532 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.879 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.923 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.996 HG21 HD13 ' A' ' 9' ' ' LEU . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 35' ' ' ASN . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB3' HD13 ' A' ' 49' ' ' ILE . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 46' ' ' LYS . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HB ' ' A' ' 54' ' ' VAL . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.758 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.0 t30 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.966 HD13 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -131.25 108.63 9.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.24 -75.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -139.22 -49.2 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.63 129.29 39.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -111.55 146.92 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.73 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 -96.17 156.0 16.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 18' ' ' LYS . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 33' ' ' ILE . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.966 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.547 ' HE1' HG12 ' A' ' 39' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 HG23 ' A' ' 49' ' ' ILE . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.637 ' HB ' HD23 ' A' ' 7' ' ' LEU . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 8' ' ' ASN . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 19' ' ' GLU . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HE3' HD11 ' A' ' 6' ' ' ILE . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 5' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.562 ' HB3' HG23 ' A' ' 55' ' ' THR . 30.5 t30 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -140.38 -44.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -147.37 71.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 71.05 -63.41 0.42 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.13 96.76 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.716 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 -102.47 160.33 14.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.709 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.58 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 4' ' ' LYS . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.804 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.624 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.617 HG22 ' HG3' ' A' ' 56' ' ' GLU . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 55' ' ' THR . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 5' ' ' LEU . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' HG23 ' A' ' 55' ' ' THR . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD22 ' HB ' ' A' ' 38' ' ' THR . 1.8 mp -155.47 -50.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -165.09 1.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -52.71 -32.12 41.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.5 32.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -82.17 163.56 21.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -110.09 138.21 46.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 3' ' ' TYR . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' HG13 ' A' ' 21' ' ' VAL . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 39' ' ' VAL . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' A' ' 51' ' ' THR . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' HD13 ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.699 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' LYS . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' HB ' HD23 ' A' ' 7' ' ' LEU . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.534 HG21 ' HD2' ' A' ' 50' ' ' LYS . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.873 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.052 HD23 HD11 ' A' ' 7' ' ' LEU . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.653 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD11 HD23 ' A' ' 5' ' ' LEU . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.746 ' HB3' HG22 ' A' ' 55' ' ' THR . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER -136.28 -177.55 4.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -74.75 63.68 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.37 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -176.4 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.168 0.508 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.42 160.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -92.27 145.2 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 -107.83 163.54 13.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.873 HG22 ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HE3' ' A' ' 18' ' ' LYS . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' HA ' HG21 ' A' ' 39' ' ' VAL . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.945 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HG11 ' A' ' 54' ' ' VAL . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HE2' ' A' ' 31' ' ' LYS . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.845 HG11 HG12 ' A' ' 39' ' ' VAL . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.746 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' CB ' HG22 ' A' ' 51' ' ' THR . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.659 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.799 HD21 ' HE3' ' A' ' 13' ' ' LYS . 3.3 m120 -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.873 HD21 ' OE1' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -144.85 98.04 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 68.05 -66.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.14 -43.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.11 88.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.078 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.799 ' HE3' HD21 ' A' ' 8' ' ' ASN . 1.7 mttp -82.18 143.96 31.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.531 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.873 ' OE1' HD21 ' A' ' 9' ' ' LEU . 1.1 mp0 -109.81 138.6 45.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.414 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.687 ' HG3' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 18' ' ' LYS . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.868 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.949 HG12 HG11 ' A' ' 54' ' ' VAL . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 49' ' ' ILE . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.54 HG22 ' CB ' ' A' ' 4' ' ' LYS . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.847 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.659 HG22 ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 39' ' ' VAL . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 8' ' ' ASN . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 7' ' ' LEU . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 5' ' ' LEU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 38' ' ' THR . 0.4 OUTLIER -123.25 99.91 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.44 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.375 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -128.63 -45.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.99 131.27 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.077 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -125.11 144.24 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.394 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 -108.4 156.88 18.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 26' ' ' ALA . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB2' HD23 ' A' ' 20' ' ' LEU . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.656 HG21 HD13 ' A' ' 9' ' ' LEU . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.89 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 46' ' ' LYS . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.89 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.496 ' HB ' HD23 ' A' ' 7' ' ' LEU . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 8' ' ' ASN . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.834 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.697 ' C ' HD13 ' A' ' 7' ' ' LEU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD13 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -130.3 -78.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.602 ' HD2' HD12 ' A' ' 9' ' ' LEU . 1.3 mptt -48.39 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.307 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -136.08 -54.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.95 -176.47 3.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.881 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB2' HG22 ' A' ' 6' ' ' ILE . 11.8 pttt -96.38 151.73 19.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 -103.99 172.13 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.176 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.784 ' HZ2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD13 ' HZ2' ' A' ' 18' ' ' LYS . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.407 ' HB ' HD23 ' A' ' 20' ' ' LEU . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 20' ' ' LEU . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.591 ' HA ' HG11 ' A' ' 39' ' ' VAL . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.914 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' ' 35' ' ' ASN . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.876 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 49' ' ' ILE . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 4' ' ' LYS . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.876 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 19' ' ' GLU . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.749 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.499 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -135.67 -76.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -69.76 0.12 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.77 -54.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.32 167.73 10.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 157.77 23.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.09 167.16 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB2' HG22 ' A' ' 2' ' ' THR . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 39' ' ' VAL . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 ' HB1' ' A' ' 34' ' ' ALA . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' HG22 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' CB ' HD13 ' A' ' 49' ' ' ILE . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.678 HG22 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 8' ' ' ASN . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 6' ' ' ILE . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 5' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 38' ' ' THR . 0.1 OUTLIER -134.74 88.0 2.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm 62.58 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -119.85 -36.31 3.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.54 141.1 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 111.201 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 156.96 39.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.496 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -118.14 140.19 50.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 6' ' ' ILE . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CA ' ' A' ' 26' ' ' ALA . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.458 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' CA ' HD22 ' A' ' 20' ' ' LEU . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.654 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 38' ' ' THR . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.765 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 39' ' ' VAL . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.487 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.648 ' CB ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.626 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.453 ' OE1' HD13 ' A' ' 7' ' ' LEU . 4.8 mt-10 . . . . . 0 CA--C 1.523 -0.09 0 CA-C-O 120.717 0.294 . . . . 0.0 110.752 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 HG11 ' A' ' 54' ' ' VAL . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' HD13 ' A' ' 49' ' ' ILE . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.691 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.648 HG22 ' CB ' ' A' ' 4' ' ' LYS . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.598 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.684 HG11 HG12 ' A' ' 39' ' ' VAL . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.682 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.718 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.907 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 HD22 ' A' ' 5' ' ' LEU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.599 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.457 -0.108 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HB3' HG23 ' A' ' 2' ' ' THR . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.558 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 9' ' ' LEU . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.709 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 4' ' ' LYS . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.816 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 39' ' ' VAL . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 56' ' ' GLU . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 55' ' ' THR . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.684 HD12 ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.614 ' CB ' HG22 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 5' ' ' LEU . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.735 0.302 . . . . 0.0 110.758 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.869 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.628 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 35' ' ' ASN . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HG3' ' A' ' 31' ' ' LYS . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 49' ' ' ILE . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.713 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' THR . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.614 HG22 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 56' ' ' GLU . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.461 ' CB ' HG22 ' A' ' 51' ' ' THR . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 5' ' ' LEU . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 7.5 t30 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 38' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 . . . . . 0 CA--C 1.522 -0.109 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HA ' HG11 ' A' ' 39' ' ' VAL . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.758 HG21 HD13 ' A' ' 9' ' ' LEU . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.624 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 49' ' ' ILE . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 4' ' ' LYS . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.724 ' HB ' HD23 ' A' ' 7' ' ' LEU . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' GLU . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.676 HG22 ' HB3' ' A' ' 19' ' ' GLU . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.806 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.655 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 HD22 ' A' ' 5' ' ' LEU . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.56 0.219 . . . . 0.0 110.512 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.418 ' OG1' HD23 ' A' ' 20' ' ' LEU . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.505 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 54' ' ' VAL . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.607 ' CB ' HD13 ' A' ' 49' ' ' ILE . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.739 HG22 ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.836 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.655 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 39' ' ' VAL . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 8' ' ' ASN . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' HG23 ' A' ' 51' ' ' THR . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.642 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.73 HD11 HD22 ' A' ' 5' ' ' LEU . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.695 0.283 . . . . 0.0 110.496 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 22' ' ' ASP . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' HD23 ' A' ' 20' ' ' LEU . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.684 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 9' ' ' LEU . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.717 ' HA ' HG11 ' A' ' 54' ' ' VAL . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.697 ' HE1' HG23 ' A' ' 39' ' ' VAL . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.429 HG23 ' C ' ' A' ' 4' ' ' LYS . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.793 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 39' ' ' VAL . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.802 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.958 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 5' ' ' LEU . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 55' ' ' THR . 1.9 t30 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.665 HD22 ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.669 0.271 . . . . 0.0 110.561 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HB3' HG23 ' A' ' 2' ' ' THR . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.629 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HD2' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.665 ' OG1' HD22 ' A' ' 9' ' ' LEU . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.49 ' HE1' HG12 ' A' ' 39' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.665 ' HB2' HD13 ' A' ' 49' ' ' ILE . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.701 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 7' ' ' LEU . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 8' ' ' ASN . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 55' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.633 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 5' ' ' LEU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 55' ' ' THR . 1.3 m-80 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.524 -0.035 0 CA-C-O 120.69 0.281 . . . . 0.0 110.624 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' HE2' ' A' ' 4' ' ' LYS . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' HD13 ' A' ' 9' ' ' LEU . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.894 HG13 HG11 ' A' ' 54' ' ' VAL . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 4' ' ' LYS . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.894 HG11 HG13 ' A' ' 39' ' ' VAL . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.924 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.613 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 1.5 t30 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 1.036 HD22 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.485 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.924 ' CD1' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 1.036 HG21 HD22 ' A' ' 9' ' ' LEU . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 45' ' ' TYR . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' THR . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.584 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.613 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 8' ' ' ASN . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 19' ' ' GLU . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.93 HD23 HD11 ' A' ' 7' ' ' LEU . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD11 HD23 ' A' ' 5' ' ' LEU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.606 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.672 0.272 . . . . 0.0 110.617 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.906 HD22 ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.906 ' OG1' HD22 ' A' ' 20' ' ' LEU . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.439 ' HA ' HG21 ' A' ' 39' ' ' VAL . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.705 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.851 HG23 ' OG1' ' A' ' 53' ' ' THR . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB2' HD13 ' A' ' 49' ' ' ILE . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.721 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.851 ' OG1' HG23 ' A' ' 44' ' ' THR . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.879 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.923 HD12 ' CD1' ' A' ' 30' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.713 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.833 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' HG23 ' A' ' 55' ' ' THR . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.996 HD13 HG21 ' A' ' 38' ' ' THR . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 . . . . . 0 N--CA 1.457 -0.087 0 CA-C-O 120.603 0.239 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.879 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.923 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.996 HG21 HD13 ' A' ' 9' ' ' LEU . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 35' ' ' ASN . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB3' HD13 ' A' ' 49' ' ' ILE . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 46' ' ' LYS . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HB ' ' A' ' 54' ' ' VAL . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.758 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.0 t30 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.966 HD13 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 . . . . . 0 N--CA 1.458 -0.072 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 18' ' ' LYS . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 33' ' ' ILE . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.529 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.966 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.547 ' HE1' HG12 ' A' ' 39' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 HG23 ' A' ' 49' ' ' ILE . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.637 ' HB ' HD23 ' A' ' 7' ' ' LEU . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 8' ' ' ASN . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 19' ' ' GLU . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HE3' HD11 ' A' ' 6' ' ' ILE . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 5' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.562 ' HB3' HG23 ' A' ' 55' ' ' THR . 30.5 t30 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.583 0.23 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.58 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 4' ' ' LYS . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.804 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.624 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.617 HG22 ' HG3' ' A' ' 56' ' ' GLU . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 55' ' ' THR . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 5' ' ' LEU . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' HG23 ' A' ' 55' ' ' THR . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD22 ' HB ' ' A' ' 38' ' ' THR . 1.8 mp . . . . . 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.523 -0.073 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 3' ' ' TYR . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' HG13 ' A' ' 21' ' ' VAL . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 39' ' ' VAL . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' A' ' 51' ' ' THR . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' HD13 ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.699 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' LYS . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.507 ' HB ' HD23 ' A' ' 7' ' ' LEU . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.534 HG21 ' HD2' ' A' ' 50' ' ' LYS . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.873 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.052 HD23 HD11 ' A' ' 7' ' ' LEU . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.653 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.052 HD11 HD23 ' A' ' 5' ' ' LEU . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.746 ' HB3' HG22 ' A' ' 55' ' ' THR . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.873 HG22 ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HE3' ' A' ' 18' ' ' LYS . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.623 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.494 ' HA ' HG21 ' A' ' 39' ' ' VAL . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.945 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HG11 ' A' ' 54' ' ' VAL . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HE2' ' A' ' 31' ' ' LYS . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.845 HG11 HG12 ' A' ' 39' ' ' VAL . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.746 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.54 ' CB ' HG22 ' A' ' 51' ' ' THR . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.659 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.709 ' HB2' HG23 ' A' ' 55' ' ' THR . 0.8 OUTLIER -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.873 HD21 ' OE1' ' A' ' 14' ' ' GLU . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.873 ' OE1' HD21 ' A' ' 9' ' ' LEU . 1.1 mp0 . . . . . 0 CA--C 1.521 -0.147 0 CA-C-O 120.788 0.328 . . . . 0.0 110.414 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.687 ' HG3' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 18' ' ' LYS . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.868 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.949 HG12 HG11 ' A' ' 54' ' ' VAL . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 49' ' ' ILE . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.54 HG22 ' CB ' ' A' ' 4' ' ' LYS . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.847 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.659 HG22 ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 39' ' ' VAL . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 8' ' ' ASN . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 7' ' ' LEU . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 5' ' ' LEU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 38' ' ' THR . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 . . . . . 0 N--CA 1.461 0.08 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 26' ' ' ALA . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB2' HD23 ' A' ' 20' ' ' LEU . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.656 HG21 HD13 ' A' ' 9' ' ' LEU . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.89 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 46' ' ' LYS . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.89 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.496 ' HB ' HD23 ' A' ' 7' ' ' LEU . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 8' ' ' ASN . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.834 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.697 ' C ' HD13 ' A' ' 7' ' ' LEU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.914 HD13 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 . . . . . 0 CA--C 1.521 -0.143 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.784 ' HZ2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.784 HD13 ' HZ2' ' A' ' 18' ' ' LYS . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.407 ' HB ' HD23 ' A' ' 20' ' ' LEU . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 20' ' ' LEU . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.591 ' HA ' HG11 ' A' ' 39' ' ' VAL . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.914 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' ' 35' ' ' ASN . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.876 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 49' ' ' ILE . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 4' ' ' LYS . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.876 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 19' ' ' GLU . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.749 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.499 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.523 -0.085 0 N-CA-C 110.452 -0.203 . . . . 0.0 110.452 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB2' HG22 ' A' ' 2' ' ' THR . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 39' ' ' VAL . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 ' HB1' ' A' ' 34' ' ' ALA . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' HG22 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.604 ' CB ' HD13 ' A' ' 49' ' ' ILE . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.678 HG22 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 8' ' ' ASN . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 6' ' ' ILE . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 5' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 38' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.46 0.06 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 6' ' ' ILE . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CA ' ' A' ' 26' ' ' ALA . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.458 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.544 ' CA ' HD22 ' A' ' 20' ' ' LEU . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.654 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 38' ' ' THR . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.765 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 39' ' ' VAL . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.854 0.359 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.3 m -85.09 128.22 34.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.487 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.7 OUTLIER -121.1 120.42 35.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.648 ' CB ' HG22 ' A' ' 51' ' ' THR . 0.1 OUTLIER -102.69 161.0 14.08 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.734 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.827 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.27 133.65 31.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.839 0.352 . . . . 0.0 111.532 -179.82 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.32 106.02 2.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 178.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.626 HD21 ' HB1' ' A' ' 34' ' ' ALA . 1.7 mp -107.46 137.16 46.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.849 0.356 . . . . 0.0 111.795 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.682 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.7 t-20 -123.44 115.84 22.26 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -155.81 -57.05 0.09 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.976 -179.747 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.9 mmmt -77.1 -166.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.706 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.51 -30.36 29.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.217 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -135.56 164.21 28.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.832 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -88.71 163.54 15.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.993 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.453 ' OE1' HD13 ' A' ' 7' ' ' LEU . 4.8 mt-10 -98.28 159.45 14.94 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.752 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -145.55 139.85 27.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -160.97 144.97 13.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.188 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.9 pt -119.46 121.62 66.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.075 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.5 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.43 113.88 7.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.04 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.9 pm0 -108.16 105.37 15.07 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.323 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.773 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.0 mm? -97.34 -177.61 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.958 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 26.0 t -71.48 -32.86 47.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.239 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.93 -149.15 0.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.584 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.487 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -120.87 -1.24 9.95 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.4 -64.52 1.27 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.65 -0.786 . . . . 0.0 111.931 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -53.42 -32.37 49.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.892 0.377 . . . . 0.0 110.36 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.773 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -79.99 -33.65 39.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.48 179.399 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.44 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 1.6 tt0 -70.96 -32.48 69.36 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.514 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mtmt -77.67 -51.59 10.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.015 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -54.51 -44.35 72.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.902 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.71 ' CG ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -66.31 -38.43 87.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.633 179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.12 -35.16 79.16 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.48 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.3 -62.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.771 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.491 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.2 tp -58.23 -45.16 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.316 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HB1' HD21 ' A' ' 7' ' ' LEU . . . -57.81 -52.87 63.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.19 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.7 t30 -60.6 -27.53 67.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.092 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.51 -37.76 35.91 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.248 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.11 -79.43 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.6 t -150.9 120.08 6.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.884 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.684 HG12 HG11 ' A' ' 54' ' ' VAL . 35.3 m -157.03 126.13 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.236 179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -161.86 -41.6 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.312 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -132.16 0.04 OUTLIER Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.677 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -102.92 145.59 12.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 120.853 0.358 . . . . 0.0 111.346 -179.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -96.83 129.22 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.916 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -122.96 150.73 42.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.736 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 22.6 t80 -144.9 128.34 16.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.963 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.2 tptt -96.11 120.44 36.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.717 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -95.98 25.48 4.74 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.201 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HB3' HD13 ' A' ' 49' ' ' ILE . 45.8 tt0 -98.11 -34.45 10.76 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.926 0.393 . . . . 0.0 110.76 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.691 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -145.16 23.63 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.125 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.7 OUTLIER 55.87 85.26 0.07 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.072 179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.648 HG22 ' CB ' ' A' ' 4' ' ' LYS . 37.1 p -146.56 117.25 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.568 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.827 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.37 136.95 32.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.971 179.298 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.598 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.9 p -143.15 137.14 28.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.924 0.392 . . . . 0.0 111.475 -179.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.684 HG11 HG12 ' A' ' 39' ' ' VAL . 22.8 t -120.16 100.38 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.95 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.682 HG23 ' HB3' ' A' ' 8' ' ' ASN . 0.4 OUTLIER -93.94 157.53 16.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.853 -179.926 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.101 -0.952 . . . . 0.0 110.954 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.6 t . . . . . 0 N--CA 1.486 1.327 0 CA-C-O 120.785 0.326 . . . . 0.0 111.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.718 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.0 m -82.33 133.72 35.24 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -126.44 120.52 29.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.604 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.1 OUTLIER -108.16 162.21 14.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.866 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.907 ' O ' HD13 ' A' ' 6' ' ' ILE . 0.6 OUTLIER -139.36 132.49 29.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.4 -179.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.907 HD13 ' O ' ' A' ' 5' ' ' LEU . 1.2 mm -140.19 116.31 8.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.79 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.753 HD11 HD22 ' A' ' 5' ' ' LEU . 4.8 mp -112.05 119.66 39.21 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.807 0.337 . . . . 0.0 111.624 -179.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.599 ' C ' HD13 ' A' ' 9' ' ' LEU . 59.5 t30 -104.61 120.84 42.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.325 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.751 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -131.53 -175.35 3.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.521 179.397 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -45.62 -41.03 9.69 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.019 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -70.18 -74.9 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.229 0.538 . . . . 0.0 111.17 -179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.736 ' O ' HD22 ' A' ' 9' ' ' LEU . . . -160.49 -158.14 0.59 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.918 -179.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.46 140.62 37.24 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -98.53 163.43 12.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.262 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -135.35 155.11 51.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.99 0.424 . . . . 0.0 111.293 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.523 ' HB3' ' CB ' ' A' ' 5' ' ' LEU . . . -167.72 121.6 0.95 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.718 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.7 pt -109.63 115.46 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.554 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.463 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.53 109.54 5.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.798 179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.718 ' HB3' HG23 ' A' ' 2' ' ' THR . 1.2 pm0 -109.29 105.51 14.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.562 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.4 -173.8 2.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.79 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.628 ' O ' HG22 ' A' ' 21' ' ' VAL . 14.0 p -103.8 20.96 3.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.338 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -165.29 131.95 2.83 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.089 0.471 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.439 ' HA ' ' CE2' ' A' ' 3' ' ' TYR . . . -75.14 -3.06 30.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.885 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.72 -64.53 1.37 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.674 -0.774 . . . . 0.0 111.923 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.1 m -55.52 -35.67 65.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.469 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -75.5 -34.56 60.84 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.516 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 1.5 tt0 -67.47 -37.02 82.27 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.36 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.3 mmtt -78.56 -49.44 13.31 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.901 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -53.76 -43.13 68.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.86 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.635 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.9 -38.37 79.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.603 179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG2' ' CH2' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -66.13 -27.6 68.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.465 179.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.35 -59.65 2.63 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.781 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.49 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -56.09 -44.81 79.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.059 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.3 -40.6 86.7 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.558 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.55 -31.75 70.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -30.24 22.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.133 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -76.38 -76.33 0.17 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.932 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.627 HG21 HD12 ' A' ' 9' ' ' LEU . 14.9 m -146.04 133.91 21.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.5 m -159.97 81.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.592 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -154.46 89.66 1.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.775 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.52 -117.96 0.87 Allowed Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.519 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.24 145.57 21.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-O 120.886 0.374 . . . . 0.0 110.815 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CH2' ' HG2' ' A' ' 31' ' ' LYS . 4.1 m95 -108.62 105.93 15.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -94.7 160.66 14.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.977 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -152.23 126.92 9.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.807 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.08 112.35 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -84.84 3.81 36.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.396 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -72.29 -31.88 66.11 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.877 0.37 . . . . 0.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.709 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -151.05 23.31 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.329 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 3.5 mmpt? 57.07 86.71 0.07 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.801 0.334 . . . . 0.0 110.963 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.604 HG23 ' HB3' ' A' ' 4' ' ' LYS . 88.1 m -146.5 113.82 6.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.421 -179.812 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.816 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.46 135.64 33.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.178 -0.464 . . . . 0.0 109.949 179.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.583 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.6 p -140.01 148.46 41.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.054 0.454 . . . . 0.0 111.632 -179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.452 HG11 ' HA ' ' A' ' 39' ' ' VAL . 35.8 t -125.68 100.32 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.783 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.459 HG22 ' N ' ' A' ' 56' ' ' GLU . 86.7 m -100.75 163.17 12.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.674 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.459 ' N ' HG22 ' A' ' 55' ' ' THR . 4.2 mt-10 . . . . . 0 C--O 1.256 1.41 0 CA-C-O 118.088 -0.958 . . . . 0.0 110.852 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.454 ' O ' HG23 ' A' ' 1' ' ' THR . 6.3 t . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.81 0.338 . . . . 0.0 111.175 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 m -68.11 130.13 42.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.804 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.427 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -126.86 120.59 29.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.808 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.83 151.1 22.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.156 -179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.684 HD12 ' CG ' ' A' ' 30' ' ' PHE . 0.5 OUTLIER -133.29 130.58 39.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.198 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 ' CB ' HG22 ' A' ' 53' ' ' THR . 1.0 OUTLIER -140.35 113.37 5.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.768 179.044 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.551 HD11 HD22 ' A' ' 5' ' ' LEU . 4.1 mp -110.76 116.54 31.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.696 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -101.38 130.98 47.68 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.85 179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' HB3' HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -140.31 -171.72 3.26 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.934 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.7 mttm -90.16 30.86 1.04 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.94 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.413 ' HB2' HD12 ' A' ' 9' ' ' LEU . 1.2 mp0 -142.46 -47.45 0.34 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 110.488 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.98 144.41 0.44 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.742 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.462 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -82.18 144.83 30.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.759 -179.918 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.439 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.7 mm-40 -99.78 155.74 17.48 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -151.63 141.56 22.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -177.44 146.66 0.48 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.151 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.8 mp -117.75 133.71 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 2.0 tppt? -142.43 115.31 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.829 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -104.35 105.34 15.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.466 179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.5 mp -101.76 -173.92 2.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.773 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.642 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.8 p -99.26 20.6 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.339 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 28.9 t70 179.24 142.02 0.12 Allowed 'General case' 0 N--CA 1.455 -0.189 0 CA-C-O 120.996 0.427 . . . . 0.0 110.829 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -70.69 -4.88 25.83 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.887 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.65 -63.39 1.48 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 111.492 -0.643 . . . . 0.0 111.492 179.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 56.9 p -59.36 -33.99 71.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.831 0.348 . . . . 0.0 110.217 179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.869 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -73.6 -35.99 65.45 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.788 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' HA2' ' A' ' 24' ' ' GLY . 11.4 pt-20 -77.58 -33.29 53.97 Favored 'General case' 0 N--CA 1.463 0.184 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.509 179.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -68.08 -53.21 27.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.258 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -56.45 -43.63 79.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.607 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.684 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.5 m-30 -63.96 -32.76 74.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.712 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -72.63 -40.72 66.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.814 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.1 mp -59.32 -58.24 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.849 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -55.44 -40.76 59.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.161 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -71.19 -34.46 70.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.114 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.628 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.6 OUTLIER -60.0 -34.92 73.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.924 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.23 -28.86 16.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.138 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -70.83 -75.47 0.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.555 ' O ' HG13 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -139.26 130.29 26.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.956 -179.897 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.628 HG11 ' HA ' ' A' ' 35' ' ' ASN . 4.0 m -159.94 102.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.137 0.494 . . . . 0.0 110.792 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -164.14 -43.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.19 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.86 -134.42 0.48 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.813 179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 p -110.25 145.54 16.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-O 120.865 0.364 . . . . 0.0 110.956 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.426 ' CZ3' ' HG3' ' A' ' 31' ' ' LYS . 9.5 m95 -98.61 114.95 27.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.928 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -103.6 162.81 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.946 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.5 t80 -148.52 152.11 36.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.33 102.7 5.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.81 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -69.83 -14.99 63.02 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.21 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HB2' HD13 ' A' ' 49' ' ' ILE . 58.6 mt-10 -54.49 -32.77 58.53 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.168 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.713 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -148.43 20.88 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.535 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 51.37 82.73 0.06 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.802 0.334 . . . . 0.0 111.065 179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 51' ' ' THR . 14.2 t -146.43 119.14 8.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.202 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.491 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -88.51 143.91 26.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.15 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.614 HG22 ' CB ' ' A' ' 6' ' ' ILE . 12.4 p -144.1 144.7 31.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.888 0.375 . . . . 0.0 111.412 -179.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.443 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.98 100.47 7.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.836 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 56' ' ' GLU . 91.6 m -95.06 161.82 13.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.444 ' N ' HG22 ' A' ' 55' ' ' THR . 0.5 OUTLIER . . . . . 0 C--O 1.257 1.47 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.77 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.2 p . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.73 0.3 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.5 t -83.19 133.32 35.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.892 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.454 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.5 OUTLIER -120.72 131.47 54.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.461 ' CB ' HG22 ' A' ' 51' ' ' THR . 9.2 ttpt -119.27 158.6 25.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.59 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.867 HD23 HD11 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -139.39 141.87 37.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.038 0.447 . . . . 0.0 112.083 -179.793 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.841 HD13 ' O ' ' A' ' 5' ' ' LEU . 5.5 mm -140.4 108.48 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.397 178.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.867 HD11 HD23 ' A' ' 5' ' ' LEU . 4.4 mp -107.54 130.89 54.82 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -178.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 7.5 t30 -122.03 124.11 43.2 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.755 179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.758 HD13 HG21 ' A' ' 38' ' ' THR . 0.7 OUTLIER -126.31 40.47 3.72 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.16 -179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 mttt 49.15 28.43 2.15 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.455 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -144.92 -47.09 0.23 Allowed 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -161.35 131.85 5.11 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.923 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -82.07 132.98 35.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.665 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 5.3 mm-40 -95.47 155.83 16.58 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.687 0.279 . . . . 0.0 110.567 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -150.77 135.64 17.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -156.93 158.83 37.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.316 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -129.3 126.2 63.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.462 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.33 111.69 6.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.755 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.02 105.62 14.43 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.062 0.458 . . . . 0.0 110.579 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.4 mm? -106.26 -176.48 3.09 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.917 -179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.489 HG23 ' N ' ' A' ' 22' ' ' ASP . 27.4 m -63.23 -45.17 99.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.29 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.489 ' N ' HG23 ' A' ' 21' ' ' VAL . 13.4 m-20 -128.3 -147.37 0.35 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.53 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.444 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -116.93 8.98 13.64 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.04 -64.59 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.745 -0.74 . . . . 0.0 111.899 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -43.15 79.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.944 0.402 . . . . 0.0 110.138 179.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.466 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.17 -37.81 88.56 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.582 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -72.66 -31.56 65.17 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.88 0.371 . . . . 0.0 110.759 179.759 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -79.86 -53.46 6.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.241 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -53.23 -45.67 68.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.948 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.606 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.5 OUTLIER -65.74 -42.07 91.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 110.479 179.624 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 10.7 mttt -63.3 -28.98 70.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.476 179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.3 tt -68.73 -60.67 2.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.837 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.4 tp -57.53 -44.97 85.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.184 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.81 -47.09 85.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.232 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' HA ' HG11 ' A' ' 39' ' ' VAL . 6.8 t-20 -59.7 -29.33 68.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.039 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.86 -28.62 22.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.17 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -79.45 -78.56 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.013 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.758 HG21 HD13 ' A' ' 9' ' ' LEU . 6.2 p -141.87 129.38 21.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.955 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.582 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.51 121.18 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.078 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.08 -39.18 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.071 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -73.17 -133.02 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.958 179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -111.83 145.58 17.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.848 0.356 . . . . 0.0 111.056 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.624 ' CE2' HG22 ' A' ' 54' ' ' VAL . 7.9 m95 -99.75 132.3 45.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.984 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.55 179.88 3.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.717 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.439 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 38.5 t80 -162.95 158.53 22.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.065 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 0.5 OUTLIER -132.99 110.05 9.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.756 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -72.03 -12.37 61.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.63 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.722 ' HB3' HD13 ' A' ' 49' ' ' ILE . 4.4 tp10 -56.16 -50.62 70.63 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.783 0.325 . . . . 0.0 111.092 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.722 HD13 ' HB3' ' A' ' 48' ' ' GLU . 0.1 OUTLIER -139.71 25.25 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.281 179.825 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 54.58 94.11 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.903 0.383 . . . . 0.0 111.131 179.847 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.461 HG22 ' CB ' ' A' ' 4' ' ' LYS . 66.1 p -146.64 121.24 9.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.459 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.599 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -90.08 144.39 25.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.846 -0.616 . . . . 0.0 109.601 178.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.611 HG22 ' HB ' ' A' ' 6' ' ' ILE . 4.0 p -141.61 142.83 33.45 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.035 0.445 . . . . 0.0 111.661 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.724 ' HB ' HD23 ' A' ' 7' ' ' LEU . 43.9 t -122.72 100.29 7.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.615 179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 HG22 ' N ' ' A' ' 56' ' ' GLU . 75.4 m -100.79 162.89 12.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.918 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' N ' HG22 ' A' ' 55' ' ' THR . 19.4 tt0 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.309 -0.853 . . . . 0.0 110.819 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 91.7 m . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.861 0.362 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.676 HG22 ' HB3' ' A' ' 19' ' ' GLU . 73.2 p -71.12 129.88 40.07 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.806 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 2.8 m-85 -123.34 125.9 45.87 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.001 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.739 ' HB3' HG22 ' A' ' 51' ' ' THR . 0.0 OUTLIER -99.78 153.4 19.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.848 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.836 HD23 ' O ' ' A' ' 52' ' ' PHE . 1.0 OUTLIER -133.69 136.63 44.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.956 0.408 . . . . 0.0 111.63 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.655 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.5 OUTLIER -140.09 104.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.331 178.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.808 HD11 HD22 ' A' ' 5' ' ' LEU . 5.3 mp -104.4 136.06 44.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.871 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.487 ' HB3' HG23 ' A' ' 55' ' ' THR . 27.9 t-20 -121.65 115.85 23.49 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.714 179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.632 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -132.13 -45.16 0.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.276 -179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -133.91 78.76 1.78 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 62.41 -79.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.3 115.57 6.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.838 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -82.16 163.46 21.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.059 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.506 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 16.2 mm-40 -92.37 159.46 15.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.512 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -143.89 137.75 28.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.918 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -169.51 139.31 2.06 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.266 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mp -113.97 135.92 52.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.073 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 1.2 tppt? -142.52 115.67 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 111.029 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.676 ' HB3' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -108.51 105.39 15.01 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.269 179.505 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.823 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.4 OUTLIER -100.56 -166.95 1.37 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.11 -179.751 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.483 HG23 ' N ' ' A' ' 22' ' ' ASP . 31.0 m -60.48 -46.52 95.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.597 -179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.483 ' N ' HG23 ' A' ' 21' ' ' VAL . 2.7 t0 -142.2 -149.37 0.27 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.743 -179.741 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.806 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -105.93 -2.53 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -85.32 -64.73 1.5 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.522 -0.847 . . . . 0.0 111.677 179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.418 ' OG1' HD23 ' A' ' 20' ' ' LEU . 14.5 p -59.19 -41.16 87.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.918 0.39 . . . . 0.0 110.174 179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.823 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -65.86 -37.04 85.11 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.672 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 47.3 tt0 -70.55 -33.29 70.97 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.924 0.392 . . . . 0.0 110.506 179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -78.64 -47.88 16.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.702 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.48 -44.15 76.21 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.823 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.718 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.17 -35.15 77.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.558 179.703 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.9 -29.94 69.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.76 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.52 -55.08 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.807 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.2 tp -56.4 -44.12 79.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.043 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.465 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -62.98 -33.97 76.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.015 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.419 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.4 t-20 -67.25 -45.02 77.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -68.91 -30.87 69.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 66.2 mttt -68.68 -76.62 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.505 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -157.35 119.46 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.839 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.747 HG12 HG11 ' A' ' 54' ' ' VAL . 4.4 m -147.51 95.52 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.241 0.543 . . . . 0.0 111.337 179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -151.51 24.58 0.69 Allowed 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.03 -130.99 2.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.556 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.6 p -105.1 137.68 33.43 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.231 0 CA-C-O 120.914 0.387 . . . . 0.0 110.866 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 4.5 m95 -98.49 120.67 39.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 10.3 m -115.3 152.67 32.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.763 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -146.14 136.06 23.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.2 mttp -109.55 122.91 48.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -94.96 21.02 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.249 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.607 ' CB ' HD13 ' A' ' 49' ' ' ILE . 3.9 mm-40 -87.79 -41.02 13.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.373 . . . . 0.0 110.592 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.651 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.0 OUTLIER -144.55 24.63 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.034 179.788 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.444 ' HD3' ' CE1' ' A' ' 3' ' ' TYR . 0.6 OUTLIER 58.71 87.95 0.07 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.969 179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.739 HG22 ' HB3' ' A' ' 4' ' ' LYS . 75.9 p -146.62 119.02 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.957 0.408 . . . . 0.0 111.61 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.836 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -95.17 142.93 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.107 179.272 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.655 HG22 ' CB ' ' A' ' 6' ' ' ILE . 17.4 p -144.9 140.37 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.398 . . . . 0.0 111.335 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.747 HG11 HG12 ' A' ' 39' ' ' VAL . 21.7 t -122.94 100.33 7.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.818 179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.487 HG23 ' HB3' ' A' ' 8' ' ' ASN . 88.4 m -97.26 156.81 16.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.776 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 . . . . . 0 C--O 1.251 1.169 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.975 179.9 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.7 m . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.736 0.303 . . . . 0.0 111.229 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.7 t -72.24 133.44 45.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.939 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.452 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -122.05 142.75 50.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.932 179.886 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' HG23 ' A' ' 51' ' ' THR . 4.4 ttmt -123.06 159.03 29.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.683 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.793 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.7 OUTLIER -139.45 135.6 33.75 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.466 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.642 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.24 109.61 3.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.492 178.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.73 HD11 HD22 ' A' ' 5' ' ' LEU . 4.9 mp -111.7 137.02 50.15 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.972 0.415 . . . . 0.0 112.028 -179.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.802 ' HB3' HG22 ' A' ' 55' ' ' THR . 7.6 t30 -126.97 130.73 50.64 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.474 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.778 HD22 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -134.49 -46.82 0.75 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.396 -179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -115.04 -81.57 0.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.345 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -127.7 -66.36 0.88 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.738 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.64 120.94 24.66 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.766 179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.9 OUTLIER -82.08 163.6 21.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.013 -179.909 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.514 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -89.09 157.97 18.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.496 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -143.29 142.09 31.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.859 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -168.9 149.18 4.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.221 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 8.6 mt -128.81 131.63 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.138 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER -142.54 117.81 10.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -105.9 105.41 15.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.215 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.682 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.5 mp -101.42 -174.19 2.54 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.039 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 22' ' ' ASP . 11.3 p -60.19 -45.22 96.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.185 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.485 ' N ' HG13 ' A' ' 21' ' ' VAL . 2.0 t0 -138.06 -149.28 0.3 Allowed 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.454 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.445 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -111.43 2.61 17.62 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.86 -63.28 1.27 Allowed Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.985 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.434 ' OG1' HD23 ' A' ' 20' ' ' LEU . 22.2 p -54.28 -31.62 54.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.766 0.317 . . . . 0.0 110.497 179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -82.0 -33.47 30.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.559 179.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.445 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.9 OUTLIER -64.78 -38.6 91.52 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.498 179.671 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.7 mttt -77.38 -49.73 14.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.072 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -54.27 -42.6 70.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.95 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' CD2' HD12 ' A' ' 5' ' ' LEU . 1.7 m-30 -68.89 -36.55 78.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.547 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 16.1 tttm -67.6 -29.54 68.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.562 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.43 -56.76 5.31 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.812 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.7 tp -54.73 -39.9 49.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.043 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.95 -34.56 78.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.778 179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.684 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.3 t-20 -65.71 -30.11 70.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.834 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.82 -34.49 15.27 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.08 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.6 mmpp? -76.81 -78.42 0.12 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.97 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.778 HG21 HD22 ' A' ' 9' ' ' LEU . 3.0 m -144.27 141.27 29.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.85 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.717 ' HA ' HG11 ' A' ' 54' ' ' VAL . 3.0 p 178.47 90.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.127 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -157.41 25.89 0.29 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.072 0.463 . . . . 0.0 111.506 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.91 -140.1 3.8 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.954 -0.641 . . . . 0.0 112.815 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 p -88.58 145.61 7.23 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.26 0 CA-C-O 120.913 0.387 . . . . 0.0 110.893 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.697 ' HE1' HG23 ' A' ' 39' ' ' VAL . 7.3 m95 -106.2 131.2 53.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.195 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.78 131.09 53.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.388 179.58 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -129.01 154.89 46.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 111.418 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.1 mtmt -133.03 108.63 9.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.465 179.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -76.38 -24.3 54.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.313 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -60.99 -45.65 93.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.248 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.772 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -114.21 -13.88 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.585 -179.611 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.451 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.5 OUTLIER 71.42 80.56 0.16 Allowed 'General case' 0 C--O 1.233 0.225 0 CA-C-O 120.908 0.385 . . . . 0.0 110.511 -179.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.429 HG23 ' C ' ' A' ' 4' ' ' LYS . 51.6 m -146.43 115.69 7.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.231 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.793 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.45 134.54 33.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 109.861 179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.642 HG22 ' CB ' ' A' ' 6' ' ' ILE . 26.5 p -136.4 138.84 41.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.994 0.426 . . . . 0.0 111.539 -179.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.717 HG11 ' HA ' ' A' ' 39' ' ' VAL . 48.2 t -121.78 100.15 8.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.569 179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.802 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.6 OUTLIER -94.29 165.88 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.857 -179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.244 0.789 0 CA-C-O 118.467 -0.778 . . . . 0.0 111.116 -179.956 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.843 0.354 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.438 HG23 ' HB3' ' A' ' 19' ' ' GLU . 5.8 m -92.31 128.32 38.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' OH ' ' HB1' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -116.06 123.74 48.68 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.771 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -109.53 162.37 14.45 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.252 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.958 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.7 OUTLIER -139.5 140.29 37.18 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.531 -179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.909 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -140.19 102.65 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.476 178.503 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.929 HD11 HD22 ' A' ' 5' ' ' LEU . 1.7 mp -108.94 133.59 52.74 Favored 'General case' 0 N--CA 1.461 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 111.959 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 55' ' ' THR . 1.9 t30 -120.33 127.26 52.17 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.732 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD22 ' OG1' ' A' ' 38' ' ' THR . 0.0 OUTLIER -136.49 -81.65 0.39 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.194 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.49 -70.61 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.043 0.449 . . . . 0.0 110.976 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -141.2 -75.82 0.31 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.94 155.4 40.86 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.5 OUTLIER -88.14 161.76 17.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.854 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 2.0 mt-10 -98.21 139.76 33.52 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.561 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -108.94 129.87 55.44 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.956 0.407 . . . . 0.0 111.146 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.633 ' HB1' ' HE1' ' A' ' 30' ' ' PHE . . . -151.21 114.31 4.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.837 179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.4 pt -120.29 126.39 75.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.903 0.382 . . . . 0.0 111.742 -179.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 9.8 ptmm? -142.42 112.99 7.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.312 179.253 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.438 ' HB3' HG23 ' A' ' 2' ' ' THR . 4.6 pm0 -101.76 105.36 16.22 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.527 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.629 HD22 ' HB ' ' A' ' 25' ' ' THR . 0.1 OUTLIER -108.15 -166.36 1.13 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.8 179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.9 m -103.59 21.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.564 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -174.67 141.87 0.68 Allowed 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.257 0.551 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.453 ' HB1' ' OH ' ' A' ' 3' ' ' TYR . . . -74.96 -1.19 21.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 112.017 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -86.11 -64.52 1.46 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.986 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.629 ' HB ' HD22 ' A' ' 20' ' ' LEU . 1.3 m -55.46 -40.89 72.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.896 0.379 . . . . 0.0 110.293 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.75 -36.15 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.47 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.43 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -70.16 -36.7 74.89 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.374 179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.4 mttm -79.11 -48.83 13.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.169 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -53.32 -42.04 66.28 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.929 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.958 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -69.93 -45.96 66.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.628 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.02 -31.34 68.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.709 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 tp -69.37 -62.36 1.41 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.8 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.495 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.1 tp -58.56 -45.28 90.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.182 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -55.29 -33.87 63.62 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.319 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 16.4 t30 -78.65 -21.2 48.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.226 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -96.88 -13.94 22.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.82 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.66 ' HD2' HG22 ' A' ' 38' ' ' THR . 0.0 OUTLIER -101.22 -33.12 10.2 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.667 0.27 . . . . 0.0 111.451 -179.628 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.665 ' OG1' HD22 ' A' ' 9' ' ' LEU . 4.5 t -179.92 126.35 0.08 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.849 0.357 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.634 HG13 ' O ' ' A' ' 38' ' ' THR . 0.0 OUTLIER -165.83 93.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.328 179.694 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -149.81 23.94 0.87 Allowed 'General case' 0 C--O 1.237 0.441 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.131 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.58 -139.57 3.74 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.595 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -102.55 145.52 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.866 0.365 . . . . 0.0 110.999 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.49 ' HE1' HG12 ' A' ' 39' ' ' VAL . 9.0 m95 -101.8 124.12 46.91 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -118.85 140.84 49.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.791 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -129.61 149.85 51.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.77 112.09 11.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.38 -4.45 45.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.385 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.665 ' HB2' HD13 ' A' ' 49' ' ' ILE . 35.6 mt-10 -56.53 -46.88 80.39 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.807 0.337 . . . . 0.0 111.002 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.701 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.88 26.7 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.312 -179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.434 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 53.2 83.37 0.07 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.868 0.366 . . . . 0.0 110.947 179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 90.6 m -146.4 116.66 7.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.311 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.461 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -88.47 145.71 25.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.941 179.256 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.669 HG22 ' HB ' ' A' ' 6' ' ' ILE . 13.4 p -145.21 135.65 24.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.92 0.39 . . . . 0.0 111.55 -179.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.672 ' HB ' HD23 ' A' ' 7' ' ' LEU . 18.5 t -120.58 100.36 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.766 179.452 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 HG23 ' HB3' ' A' ' 8' ' ' ASN . 71.3 m -98.25 160.57 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.774 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' N ' HG22 ' A' ' 55' ' ' THR . 1.4 tt0 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.393 -0.813 . . . . 0.0 111.198 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.755 0.312 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.421 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 0.0 OUTLIER -81.42 123.34 28.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.847 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.536 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.2 OUTLIER -96.62 152.09 18.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.546 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.428 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -126.71 151.25 48.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.818 -179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.86 HD23 HD11 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -139.4 139.04 37.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.095 0.474 . . . . 0.0 111.652 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.633 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.36 100.02 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.418 178.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.86 HD11 HD23 ' A' ' 5' ' ' LEU . 1.8 mp -100.68 117.92 35.76 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.831 -179.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG23 ' A' ' 55' ' ' THR . 1.3 m-80 -99.41 115.53 29.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.755 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.542 HD13 ' OG1' ' A' ' 38' ' ' THR . 0.3 OUTLIER -155.01 162.92 40.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.926 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm 62.39 -80.53 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.972 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -143.76 -47.86 0.29 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.651 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -104.35 -175.44 2.8 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.963 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -114.73 163.36 15.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.472 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -106.46 164.28 12.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.624 179.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -137.68 143.74 41.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.97 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -159.27 147.92 18.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.135 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.427 HG23 ' HE2' ' A' ' 4' ' ' LYS . 16.7 mt -131.93 134.44 59.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.536 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER -142.48 113.14 7.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.812 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 7.0 tt0 -100.58 105.22 16.6 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.098 0.475 . . . . 0.0 110.548 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.651 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 4.1 mp -116.11 -172.14 2.12 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.939 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.2 m -78.38 -36.2 20.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.559 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -133.92 -149.86 0.38 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.651 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.491 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -119.45 6.02 11.12 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.609 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.14 -63.55 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.689 -0.767 . . . . 0.0 111.815 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.426 ' OG1' HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -60.2 -25.07 65.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.749 0.309 . . . . 0.0 110.586 179.444 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.651 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -85.62 -34.64 21.34 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.909 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.491 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.4 OUTLIER -79.7 -36.01 38.16 Favored 'General case' 0 C--O 1.232 0.155 0 C-N-CA 120.488 -0.485 . . . . 0.0 110.505 179.767 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -70.75 -50.04 40.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.166 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.0 t80 -56.94 -43.67 81.75 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.673 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.728 ' CD2' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -59.48 -38.71 81.54 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.612 179.637 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 5.6 mttp -60.14 -39.13 85.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.744 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.57 -60.52 3.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.641 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -55.66 -40.31 59.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -58.1 -59.33 5.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.68 -27.31 6.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.36 -26.36 23.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.136 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 21.7 mttm -83.45 -79.11 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.042 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.542 ' OG1' HD13 ' A' ' 9' ' ' LEU . 4.9 t -156.38 107.04 2.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.999 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.894 HG13 HG11 ' A' ' 54' ' ' VAL . 45.3 t -155.81 109.27 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.0 tt0 -157.18 26.85 0.3 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.937 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -134.37 -138.7 3.99 Favored Glycine 0 CA--C 1.521 0.407 0 C-N-CA 120.455 -0.879 . . . . 0.0 112.254 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -91.96 143.69 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.817 0.341 . . . . 0.0 111.075 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 10.5 m95 -97.43 108.01 20.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.5 m -105.6 139.71 39.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.744 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -111.36 133.86 53.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HB3' ' HB ' ' A' ' 51' ' ' THR . 0.1 OUTLIER -107.95 136.81 47.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.69 23.36 3.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.413 -179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.28 60.28 4.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.963 0.411 . . . . 0.0 110.496 179.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.422 ' O ' HG22 ' A' ' 49' ' ' ILE . 24.7 mm 66.66 58.22 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.861 -179.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.45 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 62.19 87.95 0.1 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.891 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.428 HG23 ' HB3' ' A' ' 4' ' ' LYS . 93.2 m -146.47 109.55 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.825 0.345 . . . . 0.0 111.432 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.486 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.42 150.27 23.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.056 179.201 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.633 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.2 p -144.96 146.01 31.77 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.956 0.408 . . . . 0.0 111.496 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.894 HG11 HG13 ' A' ' 39' ' ' VAL . 32.5 t -126.49 100.09 6.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.699 179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 HG23 ' HB2' ' A' ' 8' ' ' ASN . 0.2 OUTLIER -92.09 161.3 14.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.901 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--O 1.248 1.0 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.99 179.855 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.835 0.35 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 t -68.17 124.68 24.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.966 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -120.45 148.69 43.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.728 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 51' ' ' THR . 0.6 OUTLIER -129.46 158.99 37.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.075 -179.868 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.924 HD12 ' CD1' ' A' ' 30' ' ' PHE . 0.3 OUTLIER -138.66 126.85 22.76 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.219 179.804 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.613 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.9 OUTLIER -140.45 106.18 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.99 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HB ' ' A' ' 54' ' ' VAL . 2.5 mp -103.92 138.5 40.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.833 0.349 . . . . 0.0 111.372 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.441 ' HB3' HG23 ' A' ' 55' ' ' THR . 1.5 t30 -124.36 115.98 21.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.028 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.036 HD22 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER -134.82 68.1 1.48 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.796 179.592 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 60.46 95.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.011 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.4 tm0? 69.96 -65.47 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.35 105.92 0.47 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.194 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.475 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 1.5 tttm -116.02 142.85 46.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.728 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.485 ' HB2' HD12 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -102.67 154.95 18.64 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 120.741 0.305 . . . . 0.0 110.934 179.891 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -151.51 128.38 10.97 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.795 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.71 157.88 22.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 9.3 mt -136.83 133.21 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.06 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.486 ' CD ' ' CE1' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.73 115.55 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.832 179.82 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -101.23 105.26 16.34 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.149 0.5 . . . . 0.0 110.065 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -109.86 -167.62 1.22 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.897 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -108.84 20.87 5.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.403 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -176.79 139.86 0.31 Allowed 'General case' 0 N--CA 1.454 -0.257 0 CA-C-O 121.117 0.485 . . . . 0.0 110.889 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 27' ' ' GLU . . . -76.68 -0.19 22.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.646 -0.706 . . . . 0.0 112.127 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -87.85 -62.67 1.43 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.808 179.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -56.33 -37.26 69.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.91 0.386 . . . . 0.0 110.462 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HA ' ' CE ' ' A' ' 18' ' ' LYS . . . -74.66 -34.62 62.74 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.699 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.407 ' CB ' ' O ' ' A' ' 23' ' ' ALA . 9.8 tt0 -63.47 -26.7 68.84 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.621 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.7 mttp -83.77 -50.77 7.8 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.151 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -51.29 -46.14 62.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.968 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.924 ' CD1' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -71.69 -41.0 69.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.323 179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 tttt -64.69 -27.53 68.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.291 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.31 -62.4 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.529 179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.1 tp -52.87 -30.03 15.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.117 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.7 -40.8 63.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.785 179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -58.31 -32.36 68.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.625 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.19 -29.03 22.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.909 179.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.7 mmtt -75.8 -70.11 0.45 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.94 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 1.036 HG21 HD22 ' A' ' 9' ' ' LEU . 1.7 t -168.19 114.09 0.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.7 m -128.55 37.01 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.553 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -117.83 90.8 3.41 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.85 -120.15 0.93 Allowed Glycine 0 CA--C 1.521 0.458 0 C-N-CA 120.466 -0.873 . . . . 0.0 112.14 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -115.44 144.8 22.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.796 0.331 . . . . 0.0 111.028 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 5.5 m95 -111.28 118.25 35.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 45' ' ' TYR . 87.7 m -106.77 160.3 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.836 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.417 ' N ' HG22 ' A' ' 44' ' ' THR . 90.5 t80 -159.34 147.54 17.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.736 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -120.73 126.03 49.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.826 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.1 p30 -97.04 23.85 6.86 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.125 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.52 -40.0 11.06 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.857 0.36 . . . . 0.0 110.56 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -146.11 24.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.11 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 18.1 mmtt 61.0 92.08 0.05 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.97 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 4' ' ' LYS . 95.0 m -146.44 125.58 12.93 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.426 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.584 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.37 139.63 38.51 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.024 179.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.613 HG22 ' CB ' ' A' ' 6' ' ' ILE . 8.7 p -144.67 140.84 28.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.865 0.364 . . . . 0.0 111.195 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.886 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.7 t -123.27 100.47 7.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 HG23 ' HB3' ' A' ' 8' ' ' ASN . 87.6 m -95.99 162.27 13.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.764 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.43 ' N ' HG22 ' A' ' 55' ' ' THR . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.165 -0.921 . . . . 0.0 111.001 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 54.2 p . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.844 0.354 . . . . 0.0 111.186 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.685 HG22 ' HB3' ' A' ' 19' ' ' GLU . 2.0 p -86.99 129.15 35.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -117.63 125.26 50.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.486 ' HB2' HG22 ' A' ' 51' ' ' THR . 5.1 mtpt -114.67 147.32 39.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.521 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.93 HD23 HD11 ' A' ' 7' ' ' LEU . 1.2 tp -128.32 143.75 51.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.105 0.479 . . . . 0.0 111.951 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.608 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mp -140.42 105.25 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.48 178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD11 HD23 ' A' ' 5' ' ' LEU . 2.0 mp -106.84 127.76 53.69 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.935 0.398 . . . . 0.0 112.047 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.606 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.9 t30 -100.64 115.67 30.76 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.66 179.365 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.705 HD13 HG21 ' A' ' 38' ' ' THR . 1.0 OUTLIER -120.91 -171.05 2.11 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.872 -179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.1 mtpp -50.85 -33.56 24.35 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.2 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 11.3 pt20 -116.57 97.14 5.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.873 0.368 . . . . 0.0 111.198 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . 50.32 -166.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.415 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 10.4 ptpt -112.39 163.55 14.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 6.0 mm-40 -105.35 162.8 13.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.617 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -147.38 134.54 20.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -148.23 157.27 43.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.1 pp -123.08 122.49 65.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.278 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.8 tptt -142.28 108.04 5.12 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.795 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.685 ' HB3' HG22 ' A' ' 2' ' ' THR . 3.8 pt-20 -107.1 105.39 15.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.411 179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.906 HD22 ' OG1' ' A' ' 25' ' ' THR . 0.1 OUTLIER -105.42 -168.44 1.46 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.065 -179.78 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -75.19 -45.94 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.664 -179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . 19.9 p-10 -123.14 -147.89 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.717 -179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -116.25 -4.79 11.86 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.9 -61.87 1.33 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.014 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.906 ' OG1' HD22 ' A' ' 20' ' ' LEU . 56.9 p -51.0 -33.94 27.03 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.993 0.425 . . . . 0.0 110.338 179.423 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.882 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -81.46 -33.02 32.3 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.361 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -67.57 -41.14 84.65 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.38 179.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -71.4 -52.33 19.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.935 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -52.43 -41.75 63.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.785 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.549 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -67.42 -35.37 79.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.258 179.529 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -66.68 -33.92 76.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.184 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.74 -60.48 3.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.451 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.459 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.12 -43.14 75.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.02 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -64.85 -40.98 96.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.943 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.439 ' HA ' HG21 ' A' ' 39' ' ' VAL . 56.8 t30 -56.64 -30.73 63.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.795 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -91.97 -25.95 18.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.114 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -60.9 -77.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.111 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.705 HG21 HD13 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -141.88 -62.82 0.45 Allowed 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.252 -179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.439 HG21 ' HA ' ' A' ' 35' ' ' ASN . 3.3 m 41.23 93.44 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.264 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.06 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -167.99 91.03 0.32 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.33 -117.61 0.81 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.909 -0.662 . . . . 0.0 112.607 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 p -116.36 145.55 21.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 120.902 0.382 . . . . 0.0 111.237 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -108.03 115.49 30.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.851 HG23 ' OG1' ' A' ' 53' ' ' THR . 1.5 t -114.52 168.53 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.972 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -146.21 130.44 17.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 mtmm -103.19 124.89 49.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -94.58 25.44 3.97 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.354 -179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.573 ' HB2' HD13 ' A' ' 49' ' ' ILE . 9.9 mt-10 -72.64 -49.16 33.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.97 0.414 . . . . 0.0 110.505 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.721 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -155.27 42.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.806 179.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 63.06 82.91 0.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.62 -179.767 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HB2' ' A' ' 4' ' ' LYS . 32.9 p -146.51 130.13 16.95 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.077 0.465 . . . . 0.0 111.622 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.602 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -102.86 148.07 26.1 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.716 -0.675 . . . . 0.0 109.724 179.114 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.851 ' OG1' HG23 ' A' ' 44' ' ' THR . 10.4 p -142.66 144.56 32.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.111 0.481 . . . . 0.0 111.682 -179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 25.0 t -124.05 100.32 7.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.628 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.606 HG23 ' HB3' ' A' ' 8' ' ' ASN . 2.1 m -92.25 153.27 19.37 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.848 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.758 0.313 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.402 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 9.5 t -88.29 128.09 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -121.82 125.34 46.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.833 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.879 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.1 OUTLIER -110.71 161.69 15.51 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.23 -179.654 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.923 HD12 ' CD1' ' A' ' 30' ' ' PHE . 1.6 tt -139.51 140.67 37.26 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.611 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.713 ' N ' HD23 ' A' ' 5' ' ' LEU . 1.3 mt -140.6 106.19 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.866 178.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.833 ' CD1' HD22 ' A' ' 5' ' ' LEU . 4.2 mp -101.61 141.23 34.79 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.522 -179.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.421 ' HB3' HG23 ' A' ' 55' ' ' THR . 24.8 t-20 -127.06 119.38 26.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.873 179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.996 HD13 HG21 ' A' ' 38' ' ' THR . 0.3 OUTLIER -125.34 -39.13 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.293 -179.92 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -148.68 92.32 1.98 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 0.0 111.337 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 63.28 -78.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.935 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.59 160.58 27.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.701 179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -122.21 163.57 19.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.177 -179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.9 mm-40 -91.61 145.85 24.26 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.532 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.73 123.25 45.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.953 0.406 . . . . 0.0 111.292 -179.737 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.551 ' HB3' ' HB3' ' A' ' 5' ' ' LEU . . . -140.96 131.91 26.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.567 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.879 HG22 ' HG3' ' A' ' 4' ' ' LYS . 2.4 pt -131.75 119.64 42.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 111.876 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.474 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 11.8 ptmm? -142.32 109.95 5.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.383 179.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.402 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 10.7 pt-20 -95.17 105.23 17.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.298 0.57 . . . . 0.0 110.486 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.35 -177.1 3.2 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.739 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.2 m -104.75 20.93 3.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.341 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -161.84 127.49 3.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.01 0.433 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.494 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -67.28 -11.62 57.99 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.752 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -89.01 -62.11 1.38 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.819 -0.705 . . . . 0.0 111.64 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.0 m -56.88 -31.72 65.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.856 0.36 . . . . 0.0 110.172 179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -78.2 -36.34 47.42 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.753 179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.494 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -77.48 -27.83 52.09 Favored 'General case' 0 N--CA 1.462 0.14 0 C-N-CA 120.543 -0.463 . . . . 0.0 110.469 179.63 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.3 -51.13 32.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.05 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.45 -44.62 89.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.748 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.923 ' CD1' HD12 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -60.24 -44.45 95.22 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.559 179.867 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.4 tttm -59.9 -35.73 75.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -62.25 1.88 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.838 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.4 tp -55.32 -39.54 52.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.182 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.538 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -66.14 -31.71 72.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.514 ' HA ' HG11 ' A' ' 39' ' ' VAL . 2.1 t-20 -67.65 -32.77 73.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.822 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.95 -30.84 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.009 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.37 -71.6 0.22 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.881 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.996 HG21 HD13 ' A' ' 9' ' ' LEU . 1.3 p -154.39 130.54 10.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.937 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.514 HG11 ' HA ' ' A' ' 35' ' ' ASN . 2.8 m -157.18 87.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 121.154 0.502 . . . . 0.0 110.797 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 27.5 tp10 -154.62 25.86 0.45 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.091 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -141.38 -127.79 2.31 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.7 p -114.22 145.57 19.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.869 0.366 . . . . 0.0 111.149 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -102.59 133.48 47.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 4.1 m -122.09 164.57 17.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.931 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -147.69 150.85 35.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.842 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.411 ' HB2' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -133.05 112.5 11.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.851 179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -81.22 -0.48 40.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.411 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.673 ' HB3' HD13 ' A' ' 49' ' ' ILE . 36.7 tt0 -59.77 -43.39 94.37 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.729 0.3 . . . . 0.0 110.939 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.696 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -141.14 24.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.352 179.895 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 8.3 mmtp 56.25 79.0 0.18 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.919 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.411 HG23 ' HB2' ' A' ' 46' ' ' LYS . 4.9 t -146.69 135.58 22.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.346 -179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.475 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -100.42 150.98 22.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.115 179.429 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 12.9 p -145.03 138.0 26.43 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.382 . . . . 0.0 111.423 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.649 ' HB ' HD23 ' A' ' 7' ' ' LEU . 21.5 t -120.62 100.35 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.968 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 85.5 m -96.04 161.96 13.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.009 0 CA-C-O 118.13 -0.938 . . . . 0.0 110.999 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.9 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.242 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.9 m -74.58 127.89 34.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.831 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CZ ' ' HG3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -121.15 142.31 50.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.629 179.88 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.594 ' HD2' HD11 ' A' ' 6' ' ' ILE . 0.1 OUTLIER -127.27 158.2 37.82 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.12 -179.767 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.842 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.6 OUTLIER -139.29 131.97 28.95 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.461 -179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.636 ' HB ' HG22 ' A' ' 53' ' ' THR . 2.5 mp -140.39 109.15 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.973 178.672 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.637 HD23 ' HB ' ' A' ' 54' ' ' VAL . 4.8 mp -106.64 127.13 53.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.943 0.402 . . . . 0.0 111.657 -179.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.758 ' HB3' HG23 ' A' ' 55' ' ' THR . 2.0 t30 -108.51 115.63 30.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.966 HD13 HG21 ' A' ' 38' ' ' THR . 0.2 OUTLIER -131.25 108.63 9.82 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.01 179.822 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 66.24 -75.23 0.05 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -139.22 -49.2 0.5 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.63 129.29 39.51 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.949 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.584 ' HD2' HG22 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -111.55 146.92 36.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.73 179.861 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.456 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 12.7 mt-10 -96.17 156.0 16.52 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.659 0.266 . . . . 0.0 110.719 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.29 129.2 11.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.929 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -162.64 133.02 4.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.064 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 mp -114.4 134.24 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.159 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.516 ' HB3' ' CZ ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -142.38 114.96 8.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.646 179.868 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -102.57 105.2 15.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.145 0.498 . . . . 0.0 110.156 179.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD13 ' HD3' ' A' ' 18' ' ' LYS . 2.7 tp -104.39 -166.29 1.23 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.839 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.2 m -106.64 20.84 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.449 -179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -178.79 140.87 0.18 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.171 0.51 . . . . 0.0 111.016 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.464 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -75.31 -2.18 27.05 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.902 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.02 -63.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.645 -0.788 . . . . 0.0 111.829 179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -54.9 -37.05 65.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.931 0.396 . . . . 0.0 110.386 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -74.85 -34.68 62.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.622 179.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -64.27 -28.59 69.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.46 179.555 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -84.05 -50.4 8.01 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 7.3 t80 -55.62 -49.34 73.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.837 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.693 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.9 m-30 -66.78 -44.8 80.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.656 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -62.64 -33.13 74.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.593 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.6 tp -63.25 -62.43 1.7 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.719 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.433 HD13 ' HA ' ' A' ' 33' ' ' ILE . 3.0 mm -58.0 -40.73 77.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.854 179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.44 -31.54 70.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.324 . . . . 0.0 111.028 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.529 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 t-20 -82.77 -32.79 27.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.063 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.67 -28.25 26.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.285 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -72.56 -74.69 0.16 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.966 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -145.01 136.88 25.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.892 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.597 HG13 ' O ' ' A' ' 38' ' ' THR . 3.7 m -160.61 124.17 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.965 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -164.32 -41.1 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.217 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -85.4 -137.1 4.04 Favored Glycine 0 N--CA 1.447 -0.604 0 C-N-CA 120.181 -1.009 . . . . 0.0 112.634 -179.136 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 p -102.17 145.73 11.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 120.878 0.37 . . . . 0.0 110.917 -179.31 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.547 ' HE1' HG12 ' A' ' 39' ' ' VAL . 6.0 m95 -96.34 111.69 23.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -101.52 153.95 19.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.954 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -142.04 155.0 45.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.774 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.01 114.94 14.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.853 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -84.19 -30.34 25.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.059 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.03 -39.52 82.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.986 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.781 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -110.51 -23.61 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.221 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG3' ' CZ ' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 75.26 70.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.066 0.46 . . . . 0.0 110.889 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.769 HG22 HG23 ' A' ' 49' ' ' ILE . 6.2 t -146.52 131.35 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.338 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.842 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -91.83 142.12 27.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.931 179.216 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.636 HG22 ' HB ' ' A' ' 6' ' ' ILE . 20.8 p -144.85 139.49 27.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.066 0.46 . . . . 0.0 111.543 -179.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.637 ' HB ' HD23 ' A' ' 7' ' ' LEU . 38.3 t -121.37 100.37 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.993 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.758 HG23 ' HB3' ' A' ' 8' ' ' ASN . 7.3 m -96.77 150.27 20.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.903 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.865 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 10.3 t . . . . . 0 N--CA 1.486 1.328 0 CA-C-O 120.791 0.329 . . . . 0.0 111.243 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 19' ' ' GLU . 29.1 m -75.25 119.85 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.839 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.463 ' CE2' ' HG2' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -109.01 121.26 44.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.888 179.951 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.661 ' HE3' HD11 ' A' ' 6' ' ' ILE . 19.8 ttpt -104.19 159.47 15.67 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.999 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.804 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.23 132.54 29.98 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.297 -179.896 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.661 HD11 ' HE3' ' A' ' 4' ' ' LYS . 0.8 OUTLIER -140.38 106.51 2.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.644 178.805 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.802 HD11 HD22 ' A' ' 5' ' ' LEU . 1.2 mp -108.12 126.63 52.99 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.935 0.398 . . . . 0.0 111.83 -179.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.562 ' HB3' HG23 ' A' ' 55' ' ' THR . 30.5 t30 -117.08 137.52 52.22 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.947 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -140.38 -44.88 0.41 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.808 179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 20.2 mttt -147.37 71.39 1.21 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 71.05 -63.41 0.42 Allowed 'General case' 0 CA--C 1.521 -0.17 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.13 96.76 0.65 Allowed 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 111.137 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 15.3 pttm -83.77 163.51 20.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.716 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 9.7 mm-40 -102.47 160.33 14.65 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.709 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -139.44 149.79 44.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.006 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -170.51 132.96 1.0 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.152 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -114.51 125.82 71.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.236 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -142.37 112.71 7.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.017 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.553 ' HG2' HG23 ' A' ' 2' ' ' THR . 0.7 OUTLIER -106.95 105.39 15.4 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.199 179.416 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 1.5 mp -111.24 -174.71 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.01 -179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.7 m -101.19 20.94 2.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.288 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -174.51 140.17 0.61 Allowed 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.109 0.481 . . . . 0.0 110.87 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -74.23 -0.03 15.59 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.606 -0.725 . . . . 0.0 112.184 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.459 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.96 -62.73 1.42 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.762 -0.732 . . . . 0.0 111.766 179.665 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.4 p -59.42 -33.33 71.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.834 0.35 . . . . 0.0 110.431 179.368 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -76.16 -36.03 58.92 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.947 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 14.1 pt-20 -78.18 -31.01 49.34 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 120.51 -0.476 . . . . 0.0 110.683 179.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.01 -56.97 7.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.416 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 8.7 t80 -56.75 -45.03 82.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.779 179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.663 ' CG ' HD12 ' A' ' 5' ' ' LEU . 1.8 m-30 -62.81 -38.63 91.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.756 179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.4 tttt -69.35 -34.17 74.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 tp -61.52 -61.05 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.904 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.8 tp -55.13 -41.29 59.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.22 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.58 -31.82 72.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.142 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HA ' HG11 ' A' ' 39' ' ' VAL . 0.2 OUTLIER -65.88 -34.2 77.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.839 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.01 -30.59 19.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.135 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.74 -75.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.909 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.58 ' CG2' HD13 ' A' ' 9' ' ' LEU . 1.3 p -140.24 135.76 32.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.928 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG13 ' O ' ' A' ' 38' ' ' THR . 3.6 m -160.5 101.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.07 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.49 -41.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.935 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.63 -130.59 0.22 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.267 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 p -108.72 145.34 15.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.373 . . . . 0.0 110.92 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.411 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.2 m95 -105.66 106.8 17.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.918 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -95.58 161.47 14.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -157.2 135.93 11.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 37.8 mmtm -94.4 112.79 24.58 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.691 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.59 87.38 5.08 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.151 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 175.85 -44.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.74 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.808 HD13 ' O ' ' A' ' 49' ' ' ILE . 0.0 OUTLIER -115.78 -4.36 11.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.458 179.211 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.463 ' HG2' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 68.72 82.04 0.17 Allowed 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.618 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.542 HG23 ' HB3' ' A' ' 4' ' ' LYS . 49.1 m -139.55 113.47 8.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.511 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.804 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -90.64 133.95 34.75 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.197 179.381 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.624 HG22 ' CB ' ' A' ' 6' ' ' ILE . 20.6 p -139.22 139.83 37.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.941 0.4 . . . . 0.0 111.344 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG22 ' CD2' ' A' ' 43' ' ' TRP . 22.9 t -121.53 100.25 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.759 179.586 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.617 HG22 ' HG3' ' A' ' 56' ' ' GLU . 45.9 m -96.07 149.98 20.99 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.872 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.617 ' HG3' HG22 ' A' ' 55' ' ' THR . 49.1 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.346 -0.835 . . . . 0.0 110.721 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.874 0.368 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 12.2 t -83.63 123.96 30.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.904 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.513 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -100.38 160.71 14.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.869 179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 mtpt -133.75 152.6 51.92 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.43 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -138.88 142.5 38.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.092 0.472 . . . . 0.0 112.072 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.691 ' HB ' HG22 ' A' ' 53' ' ' THR . 0.7 OUTLIER -140.23 99.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.083 178.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD11 HD23 ' A' ' 5' ' ' LEU . 2.4 mp -101.11 133.16 46.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.903 -178.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.426 ' HB3' HG23 ' A' ' 55' ' ' THR . 20.9 t-20 -121.86 115.66 23.01 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.677 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD22 ' HB ' ' A' ' 38' ' ' THR . 1.8 mp -155.47 -50.47 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.957 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.21 -165.09 1.06 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.632 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -52.71 -32.12 41.18 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -136.26 162.5 32.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.775 179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.483 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -82.17 163.56 21.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.893 -179.944 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.9 OUTLIER -110.09 138.21 46.78 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.779 0.323 . . . . 0.0 110.942 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -117.42 145.44 44.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.852 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -163.73 150.5 11.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.983 0.42 . . . . 0.0 111.476 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.419 HG23 ' O ' ' A' ' 3' ' ' TYR . 3.0 mp -125.27 138.12 55.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.872 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.513 ' O ' ' HB2' ' A' ' 3' ' ' TYR . 0.6 OUTLIER -142.39 114.09 7.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.983 0.421 . . . . 0.0 111.105 -179.798 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 0.0 OUTLIER -102.28 105.3 15.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.123 0.487 . . . . 0.0 110.054 179.495 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.662 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 0.5 OUTLIER -110.14 -169.78 1.53 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.197 -179.623 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.504 HG13 ' N ' ' A' ' 22' ' ' ASP . 12.6 p -59.77 -47.54 90.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.737 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.504 ' N ' HG13 ' A' ' 21' ' ' VAL . 43.6 m-20 -144.31 -96.95 0.1 Allowed 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.213 -0.195 . . . . 0.0 111.205 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -155.58 4.09 0.19 Allowed 'General case' 0 CA--C 1.531 0.214 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -89.1 -64.74 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.998 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 20' ' ' LEU . 0.4 OUTLIER -56.79 -31.79 65.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.901 0.382 . . . . 0.0 110.469 179.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.662 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -78.55 -34.71 46.86 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.538 179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.5 OUTLIER -63.79 -38.32 90.68 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.045 0.45 . . . . 0.0 110.229 179.546 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtm -77.41 -47.91 18.59 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.801 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -53.91 -43.02 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.819 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.669 ' CG ' HD13 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -68.43 -36.02 78.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.605 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -69.27 -38.33 78.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.454 179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.79 -59.11 5.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.649 179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 7.6 tp -54.06 -33.75 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.242 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.63 -54.54 45.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.201 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -66.5 -22.64 66.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.059 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -92.19 -3.12 56.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.65 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -117.2 -79.77 0.6 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.72 0.295 . . . . 0.0 111.19 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.611 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -149.7 130.34 14.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.885 0.374 . . . . 0.0 111.014 -179.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.523 HG21 ' CZ2' ' A' ' 43' ' ' TRP . 10.4 p -178.81 122.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.224 0.535 . . . . 0.0 111.25 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -167.78 28.62 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.965 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -137.32 -121.4 2.01 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 121.253 -0.499 . . . . 0.0 112.915 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -111.88 145.21 18.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 120.913 0.387 . . . . 0.0 110.928 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CZ2' HG21 ' A' ' 39' ' ' VAL . 25.8 m95 -99.49 134.38 42.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.824 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -125.41 147.15 49.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -143.39 122.81 13.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HB2' HG23 ' A' ' 51' ' ' THR . 1.2 mmtm -99.49 129.72 45.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.661 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.5 p30 -93.57 17.85 10.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.513 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.608 ' HB3' HD13 ' A' ' 49' ' ' ILE . 30.1 tt0 -70.66 -41.71 71.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.876 0.37 . . . . 0.0 110.639 179.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.699 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -153.16 29.69 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.875 179.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.445 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 62.17 87.87 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.735 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' LYS . 5.6 t -146.52 132.97 19.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.988 0.423 . . . . 0.0 111.373 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.503 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 0.1 OUTLIER -98.64 150.8 21.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.148 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.691 HG22 ' HB ' ' A' ' 6' ' ' ILE . 1.9 p -144.96 135.59 24.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.954 0.407 . . . . 0.0 111.322 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.507 ' HB ' HD23 ' A' ' 7' ' ' LEU . 42.7 t -120.82 100.12 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.799 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.4 m -100.33 162.15 13.14 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.718 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' N ' HG22 ' A' ' 55' ' ' THR . 1.7 tt0 . . . . . 0 C--O 1.251 1.145 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.849 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.534 HG21 ' HD2' ' A' ' 50' ' ' LYS . 11.2 t . . . . . 0 N--CA 1.486 1.347 0 CA-C-O 120.763 0.316 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 3.1 m -80.8 119.94 24.02 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.935 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.434 ' CE2' ' HA ' ' A' ' 23' ' ' ALA . 0.2 OUTLIER -109.11 121.33 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.598 179.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.873 ' HG3' HG22 ' A' ' 17' ' ' ILE . 0.3 OUTLIER -111.5 157.38 20.39 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.569 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.052 HD23 HD11 ' A' ' 7' ' ' LEU . 2.4 tp -139.75 146.46 39.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.943 0.402 . . . . 0.0 111.728 179.808 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.653 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.1 mt -140.84 113.75 4.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.47 178.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.052 HD11 HD23 ' A' ' 5' ' ' LEU . 2.6 mp -109.43 118.56 36.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.822 0.344 . . . . 0.0 111.904 -179.272 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.746 ' HB3' HG22 ' A' ' 55' ' ' THR . 38.3 t30 -110.74 123.29 49.77 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.727 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.945 HD13 HG21 ' A' ' 38' ' ' THR . 0.5 OUTLIER -136.28 -177.55 4.76 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.834 -179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.0 tttp -74.75 63.68 1.18 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.37 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -176.4 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.168 0.508 . . . . 0.0 111.03 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -176.42 160.84 2.14 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.059 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -92.27 145.2 24.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.746 179.926 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.426 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 1.9 mp0 -107.83 163.54 13.03 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.723 0.296 . . . . 0.0 110.904 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -150.34 112.47 4.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -119.69 152.0 37.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.722 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.873 HG22 ' HG3' ' A' ' 4' ' ' LYS . 1.0 OUTLIER -137.32 115.68 14.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.884 0.373 . . . . 0.0 111.756 -179.683 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.469 ' HG2' ' CE2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -139.27 110.96 7.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.344 179.075 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -97.04 105.35 17.48 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.229 0.538 . . . . 0.0 110.683 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD13 ' HE3' ' A' ' 18' ' ' LYS . 3.9 mp -125.89 169.44 12.66 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.43 -0.804 . . . . 0.0 110.667 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.9 m -95.64 20.87 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.439 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -145.63 115.33 7.27 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.939 0.4 . . . . 0.0 111.234 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.448 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -72.31 -10.18 59.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.441 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.454 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -88.56 -59.31 1.64 Allowed Glycine 0 N--CA 1.45 -0.393 0 N-CA-C 111.496 -0.642 . . . . 0.0 111.496 179.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.5 m -60.96 -36.33 79.13 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.788 0.328 . . . . 0.0 110.212 179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -72.51 -39.56 67.5 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 24' ' ' GLY . 21.7 pt-20 -74.4 -28.2 60.98 Favored 'General case' 0 N--CA 1.462 0.171 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.561 179.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.1 mttm -70.03 -49.15 54.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.103 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -57.64 -44.0 85.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CG ' HD13 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -64.76 -39.7 94.06 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.523 179.625 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HE2' ' CZ3' ' A' ' 43' ' ' TRP . 0.0 OUTLIER -65.89 -38.05 87.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.724 179.798 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -62.39 1.87 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.706 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 8.8 tp -55.0 -39.19 48.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.075 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.623 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -68.61 -46.46 69.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.105 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.494 ' HA ' HG21 ' A' ' 39' ' ' VAL . 9.9 t-20 -64.86 -29.61 70.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.081 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.94 -28.99 25.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.231 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.36 -78.03 0.13 Allowed 'General case' 0 C--O 1.223 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.977 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.945 HG21 HD13 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -152.3 118.31 5.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.123 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.845 HG12 HG11 ' A' ' 54' ' ' VAL . 3.1 m -149.71 103.31 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.411 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -159.08 27.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.148 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -133.13 -127.59 2.8 Favored Glycine 0 CA--C 1.521 0.459 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.537 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.82 145.56 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.901 0.381 . . . . 0.0 111.068 -179.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.4 ' CZ3' ' HE2' ' A' ' 31' ' ' LYS . 14.1 m95 -106.57 125.34 50.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.18 157.01 27.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.43 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 75.9 t80 -149.03 155.56 40.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.038 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.06 120.25 21.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.707 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -93.03 17.56 10.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.193 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -95.11 -29.27 14.66 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.818 0.342 . . . . 0.0 110.727 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.684 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.94 18.34 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.256 179.868 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.534 ' HD2' HG21 ' A' ' 1' ' ' THR . 0.1 OUTLIER 52.82 78.87 0.13 Allowed 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.915 0.388 . . . . 0.0 111.114 179.881 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 14.1 t -146.81 125.11 12.25 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.909 0.385 . . . . 0.0 111.673 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -98.26 148.54 23.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.789 178.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.653 HG22 ' HB ' ' A' ' 6' ' ' ILE . 2.0 p -144.53 141.04 29.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.069 0.461 . . . . 0.0 111.756 -179.559 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.845 HG11 HG12 ' A' ' 39' ' ' VAL . 36.3 t -122.03 100.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.668 179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.746 HG22 ' HB3' ' A' ' 8' ' ' ASN . 0.7 OUTLIER -95.72 161.74 13.9 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.155 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 . . . . . 0 C--O 1.244 0.779 0 CA-C-O 118.602 -0.714 . . . . 0.0 110.915 179.711 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 50.6 p . . . . . 0 N--CA 1.486 1.349 0 CA-C-O 120.786 0.327 . . . . 0.0 111.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.6 m -79.97 129.27 34.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.439 ' CZ ' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -115.29 120.45 39.68 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.54 ' CB ' HG22 ' A' ' 51' ' ' THR . 1.7 ttmt -107.93 160.82 15.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.974 0.416 . . . . 0.0 111.466 -179.53 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.847 HD23 ' O ' ' A' ' 52' ' ' PHE . 0.5 OUTLIER -139.44 136.08 34.26 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.992 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.659 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.2 mp -140.54 111.33 3.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.779 0.323 . . . . 0.0 110.975 178.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' A' ' 14' ' ' GLU . 5.2 mp -104.12 138.32 40.79 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.807 0.337 . . . . 0.0 111.658 -179.479 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.709 ' HB2' HG23 ' A' ' 55' ' ' THR . 0.8 OUTLIER -118.71 115.59 24.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.788 179.588 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.873 HD21 ' OE1' ' A' ' 14' ' ' GLU . 0.2 OUTLIER -144.85 98.04 3.12 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.759 179.882 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.1 mttm 68.05 -66.49 0.22 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.97 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -157.14 -43.57 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.11 88.62 0.12 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.857 0.361 . . . . 0.0 111.078 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HG3' ' HA ' ' A' ' 8' ' ' ASN . 1.7 mttp -82.18 143.96 31.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.531 179.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.873 ' OE1' HD21 ' A' ' 9' ' ' LEU . 1.1 mp0 -109.81 138.6 45.95 Favored 'General case' 0 C--N 1.332 -0.186 0 C-N-CA 120.71 -0.396 . . . . 0.0 110.414 179.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.512 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 36.2 mt-10 -138.41 136.86 36.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.433 -179.607 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -155.8 141.67 18.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.797 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.6 mt -119.27 135.71 58.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.985 0.421 . . . . 0.0 111.428 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.687 ' HG3' HD11 ' A' ' 20' ' ' LEU . 0.1 OUTLIER -142.28 108.33 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.542 179.706 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 60.3 tt0 -95.77 105.27 17.25 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.255 0.55 . . . . 0.0 110.556 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 18' ' ' LYS . 5.1 mp -123.72 -175.56 3.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.638 ' O ' HG22 ' A' ' 21' ' ' VAL . 13.7 p -106.42 20.95 4.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.381 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -159.89 130.06 5.51 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.101 0.476 . . . . 0.0 111.162 -179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -76.65 -0.5 23.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.794 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' O ' ' HG2' ' A' ' 27' ' ' GLU . . . -87.83 -64.44 1.37 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 111.668 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.2 p -59.27 -31.07 68.77 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.891 0.377 . . . . 0.0 110.419 179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.626 ' HB2' HD13 ' A' ' 20' ' ' LEU . . . -77.44 -35.42 54.0 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.475 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 21.6 pt-20 -78.34 -39.76 38.52 Favored 'General case' 0 N--CA 1.462 0.164 0 C-N-CA 120.504 -0.478 . . . . 0.0 110.617 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.76 -55.52 29.26 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.277 179.466 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -40.1 72.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.776 179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.614 ' CG ' HD12 ' A' ' 5' ' ' LEU . 2.2 m-30 -66.68 -34.79 78.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.855 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.6 tttp -73.7 -28.94 61.99 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.753 179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.8 -58.91 3.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 34' ' ' ALA . 8.8 tp -56.79 -44.17 81.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.189 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.489 ' CB ' HD21 ' A' ' 7' ' ' LEU . . . -57.44 -42.6 82.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.118 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -61.3 -56.29 22.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -60.22 -29.51 68.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.41 -75.5 0.15 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.868 ' HB ' HD22 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -163.76 114.42 1.33 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.897 -179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.949 HG12 HG11 ' A' ' 54' ' ' VAL . 4.1 m -140.91 110.2 2.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.52 179.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.06 92.31 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.004 0.43 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 156.82 -118.04 0.81 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.747 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.8 p -116.96 145.54 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.956 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 9.4 m95 -110.02 115.17 29.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 18.6 p -109.99 158.23 18.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.973 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 85.4 t80 -144.6 148.89 34.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -120.94 106.42 11.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.821 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -68.97 -12.73 61.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.431 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -55.23 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.684 0.278 . . . . 0.0 111.07 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.485 ' O ' HG22 ' A' ' 49' ' ' ILE . 8.2 mm -104.99 31.13 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.014 0.435 . . . . 0.0 111.035 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HB3' ' CZ ' ' A' ' 3' ' ' TYR . 0.4 OUTLIER 46.89 89.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.202 179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.54 HG22 ' CB ' ' A' ' 4' ' ' LYS . 82.3 p -146.44 122.82 10.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.954 0.407 . . . . 0.0 111.392 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.847 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.2 OUTLIER -94.23 145.82 24.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.085 179.393 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.659 HG22 ' HB ' ' A' ' 6' ' ' ILE . 22.9 p -144.9 142.7 30.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.928 0.394 . . . . 0.0 111.28 -179.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 39' ' ' VAL . 21.9 t -124.23 100.52 7.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.037 179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.709 HG23 ' HB2' ' A' ' 8' ' ' ASN . 81.8 m -97.78 145.06 26.74 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 . . . . . 0 C--O 1.243 0.743 0 CA-C-O 118.392 -0.813 . . . . 0.0 111.14 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 28.4 m . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.89 0.376 . . . . 0.0 111.166 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.06 118.51 12.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -105.74 139.02 40.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.059 -179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.0 ttpt -128.75 152.03 48.9 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.663 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.823 HD23 HD11 ' A' ' 7' ' ' LEU . 1.1 tp -139.53 141.13 37.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.911 0.386 . . . . 0.0 111.663 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.598 ' HB ' HG22 ' A' ' 53' ' ' THR . 1.6 mp -140.62 104.93 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.985 178.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.823 HD11 HD23 ' A' ' 5' ' ' LEU . 4.1 mp -100.67 138.58 37.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.233 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.456 ' HB3' HG23 ' A' ' 55' ' ' THR . 10.7 t30 -128.78 115.64 18.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.072 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.656 HD13 HG21 ' A' ' 38' ' ' THR . 0.4 OUTLIER -123.25 99.91 6.58 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.74 179.791 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 65.44 -75.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.375 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -128.63 -45.17 1.33 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.955 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.99 131.27 44.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.986 0.422 . . . . 0.0 111.077 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.482 ' HA ' ' O ' ' A' ' 7' ' ' LEU . 0.4 OUTLIER -125.11 144.24 50.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.394 179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 7' ' ' LEU . 3.1 mp0 -108.4 156.88 18.93 Favored 'General case' 0 C--N 1.333 -0.123 0 CA-C-O 120.794 0.33 . . . . 0.0 111.011 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.57 139.26 19.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.866 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -166.93 159.6 13.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.988 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 7.2 pt -137.28 135.21 47.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.429 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.499 ' HG3' HD23 ' A' ' 20' ' ' LEU . 0.4 OUTLIER -142.43 114.44 8.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.454 179.619 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 74.6 tt0 -96.73 105.18 17.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.145 0.498 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 26' ' ' ALA . 4.1 mm? -103.9 -178.22 3.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 12.6 p -68.14 -33.65 62.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.152 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -137.29 -149.72 0.32 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.566 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -118.41 6.65 11.82 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.449 ' O ' ' HG3' ' A' ' 27' ' ' GLU . . . -90.07 -60.96 1.36 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.034 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.4 p -57.97 -28.77 64.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.77 0.319 . . . . 0.0 110.495 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.581 ' HB2' HD23 ' A' ' 20' ' ' LEU . . . -83.39 -35.13 25.31 Favored 'General case' 0 N--CA 1.455 -0.213 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.038 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.497 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.3 OUTLIER -75.16 -29.85 60.56 Favored 'General case' 0 N--CA 1.463 0.203 0 C-N-CA 120.334 -0.546 . . . . 0.0 110.72 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.1 mtpm? -76.86 -50.41 13.45 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.857 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -56.38 -44.09 79.87 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.892 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.762 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -65.94 -35.28 80.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.794 179.858 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.52 -31.56 69.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.778 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.59 -56.88 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.722 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 34' ' ' ALA . 7.9 tp -56.39 -43.13 76.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.443 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.35 -29.31 67.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.118 179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.7 m-20 -75.48 -29.19 59.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -93.32 -29.6 15.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.238 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.607 ' O ' HG23 ' A' ' 38' ' ' THR . 0.4 OUTLIER -72.82 -76.96 0.11 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.983 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.656 HG21 HD13 ' A' ' 9' ' ' LEU . 2.1 p -163.11 128.58 3.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.529 ' O ' HG13 ' A' ' 39' ' ' VAL . 12.2 p -169.25 117.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.175 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -169.62 29.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -136.57 -130.85 2.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.592 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 8.5 p -103.35 134.53 44.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.893 0.378 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -88.23 147.95 24.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.824 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.89 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.9 t -140.32 147.92 40.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -133.13 136.34 45.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.975 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' HB ' ' A' ' 51' ' ' THR . 11.1 mtmt -110.03 143.72 39.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.524 179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -91.31 23.83 3.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.546 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -82.77 59.57 4.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.952 0.406 . . . . 0.0 110.516 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 23.5 mm 68.87 58.56 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.902 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.437 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.1 OUTLIER 60.75 93.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.961 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.407 ' HB ' ' HB2' ' A' ' 46' ' ' LYS . 88.6 m -146.1 105.06 3.88 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.438 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 5' ' ' LEU . 1.1 m-85 -88.57 148.75 23.94 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.057 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.89 ' OG1' HG23 ' A' ' 44' ' ' THR . 2.4 p -144.86 143.48 30.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.842 0.354 . . . . 0.0 111.371 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.496 ' HB ' HD23 ' A' ' 7' ' ' LEU . 28.1 t -123.5 100.42 7.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.15 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 HG23 ' HB3' ' A' ' 8' ' ' ASN . 91.5 m -100.91 162.26 13.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.923 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' HG22 ' A' ' 55' ' ' THR . 0.6 OUTLIER . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.278 -0.867 . . . . 0.0 110.855 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 61.3 p . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.861 0.362 . . . . 0.0 111.22 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.448 ' HA ' ' CB ' ' A' ' 19' ' ' GLU . 5.4 m -78.05 118.59 20.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.96 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.417 ' CE2' ' HB3' ' A' ' 50' ' ' LYS . 0.2 OUTLIER -113.74 125.11 53.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.995 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.631 ' HB3' HG22 ' A' ' 51' ' ' THR . 1.8 ttmm -111.53 157.53 20.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.671 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.834 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.0 OUTLIER -139.65 146.38 39.64 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 121.069 0.462 . . . . 0.0 111.931 -179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.697 ' C ' HD13 ' A' ' 7' ' ' LEU . 2.4 mp -140.4 104.98 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.991 178.377 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.713 HD11 HD23 ' A' ' 5' ' ' LEU . 0.0 OUTLIER -111.39 128.98 56.14 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.399 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -111.99 115.79 29.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.48 179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.914 HD13 HG21 ' A' ' 38' ' ' THR . 0.0 OUTLIER -130.3 -78.59 0.54 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.241 -179.472 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.602 ' HD2' HD12 ' A' ' 9' ' ' LEU . 1.3 mptt -48.39 -81.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.307 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -136.08 -54.18 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -95.95 -176.47 3.71 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.881 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB2' HG22 ' A' ' 6' ' ' ILE . 11.8 pttt -96.38 151.73 19.26 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.535 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 4.4 mt-10 -103.99 172.13 6.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.176 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.412 ' HA ' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -141.24 153.2 45.12 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.92 0.391 . . . . 0.0 111.373 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.59 124.44 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.816 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.3 pt -101.06 116.82 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.482 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.784 ' HZ2' HD13 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -142.27 108.77 5.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.609 179.66 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.448 ' CB ' ' HA ' ' A' ' 2' ' ' THR . 8.0 pt-20 -112.28 105.76 14.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.774 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.784 HD13 ' HZ2' ' A' ' 18' ' ' LYS . 2.7 tp -99.16 -172.89 2.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.694 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 m -94.95 20.77 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.375 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -178.43 136.28 0.16 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 111.02 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 27' ' ' GLU . . . -68.47 -10.49 55.8 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.693 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 27' ' ' GLU . . . -86.68 -64.67 1.42 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.584 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.407 ' HB ' HD23 ' A' ' 20' ' ' LEU . 6.9 m -58.3 -30.55 66.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.941 0.4 . . . . 0.0 110.239 179.115 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.567 ' HB2' ' CB ' ' A' ' 20' ' ' LEU . . . -76.07 -34.6 59.58 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.832 179.654 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 23' ' ' ALA . 0.1 OUTLIER -70.16 -26.82 64.1 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.793 179.822 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -48.12 17.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.682 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -55.89 -43.95 77.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.964 179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.834 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -65.76 -42.61 90.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.666 179.79 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG2' ' CZ3' ' A' ' 43' ' ' TRP . 0.1 OUTLIER -63.67 -30.24 71.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.762 179.808 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 5.9 tp -71.28 -61.93 1.59 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -56.19 -42.14 72.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.194 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.444 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -66.35 -30.66 71.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.134 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.591 ' HA ' HG11 ' A' ' 39' ' ' VAL . 4.7 m-20 -71.91 -41.73 67.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.923 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -76.48 -26.4 55.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.216 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.0 mtpp -72.35 -79.01 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.033 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.914 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 p -145.43 130.08 18.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.042 -179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.591 HG11 ' HA ' ' A' ' 35' ' ' ASN . 16.5 m -157.78 83.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -131.29 10.48 4.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.589 -179.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -128.23 -140.03 4.93 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 120.369 -0.92 . . . . 0.0 112.417 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.4 p -100.33 145.47 10.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.819 0.342 . . . . 0.0 111.157 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.44 ' CD2' HG22 ' A' ' 54' ' ' VAL . 6.6 m95 -104.27 116.14 31.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.006 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.876 HG23 ' OG1' ' A' ' 53' ' ' THR . 2.6 t -111.67 155.62 23.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.698 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.421 ' HB2' ' CE1' ' A' ' 52' ' ' PHE . 45.9 t80 -134.64 153.29 52.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.041 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -125.01 114.82 19.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.579 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -94.48 29.84 2.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.167 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.691 ' HB2' HD13 ' A' ' 49' ' ' ILE . 5.5 mm-40 -91.24 -45.55 8.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.85 0.357 . . . . 0.0 110.647 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -147.77 31.84 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.959 179.827 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HB3' ' CE2' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.68 80.96 0.21 Allowed 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.755 -179.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.631 HG22 ' HB3' ' A' ' 4' ' ' LYS . 21.5 p -146.44 109.48 4.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.593 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.542 ' CB ' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -88.32 151.37 22.67 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.041 -0.527 . . . . 0.0 109.843 179.06 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.876 ' OG1' HG23 ' A' ' 44' ' ' THR . 4.7 p -145.13 149.68 35.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.935 0.398 . . . . 0.0 111.391 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 HG22 ' CD2' ' A' ' 43' ' ' TRP . 60.6 t -132.39 99.88 3.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.49 179.608 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 56' ' ' GLU . 88.7 m -94.68 161.75 14.06 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.971 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' HG22 ' A' ' 55' ' ' THR . 1.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.323 -0.846 . . . . 0.0 110.905 179.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 6.5 m . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.876 0.37 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.404 HG22 ' HB2' ' A' ' 19' ' ' GLU . 41.8 p -78.62 123.42 27.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.449 ' CE1' ' HB3' ' A' ' 50' ' ' LYS . 0.3 OUTLIER -110.25 143.61 40.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.803 179.922 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.663 ' HB2' HG22 ' A' ' 51' ' ' THR . 0.3 OUTLIER -125.78 148.85 48.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.531 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.848 HD22 ' CD1' ' A' ' 30' ' ' PHE . 1.8 tp -131.18 145.01 51.78 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.108 0.48 . . . . 0.0 112.039 -179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.678 ' CB ' HG22 ' A' ' 53' ' ' THR . 0.4 OUTLIER -140.22 103.29 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.017 178.301 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.749 ' N ' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -120.44 142.44 49.24 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.261 0.553 . . . . 0.0 112.454 -178.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.499 ' HB3' HG23 ' A' ' 55' ' ' THR . 0.6 OUTLIER -113.1 132.21 55.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.61 179.814 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.478 HD22 HG12 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -135.67 -76.34 0.44 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.111 -179.898 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.95 -69.76 0.12 Allowed 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.042 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -145.77 -54.56 0.28 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.53 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -99.32 167.73 10.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.78 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.11 157.77 23.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.827 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.622 ' O ' ' HA ' ' A' ' 6' ' ' ILE . 0.0 OUTLIER -113.09 167.16 10.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.452 179.88 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -126.2 154.82 42.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.916 0.389 . . . . 0.0 111.263 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -158.61 137.64 11.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.889 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 2.2 pt -112.34 120.23 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.454 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 30' ' ' PHE . 1.1 tptt -142.41 112.52 7.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.76 179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.404 ' HB2' HG22 ' A' ' 2' ' ' THR . 14.9 tt0 -109.87 105.48 14.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.508 179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.603 ' HB2' ' HB2' ' A' ' 26' ' ' ALA . 3.1 mp -99.12 -173.8 2.59 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.5 m -72.13 -34.29 49.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.475 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -135.68 -149.86 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.539 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.418 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -117.18 -7.15 11.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.581 -0.282 . . . . 0.0 111.6 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -90.08 -60.62 1.39 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.998 -0.62 . . . . 0.0 112.13 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 p -48.97 -29.79 5.22 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.0 0.429 . . . . 0.0 110.329 179.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.603 ' HB2' ' HB2' ' A' ' 20' ' ' LEU . . . -86.24 -32.2 21.28 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.057 179.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 0.6 OUTLIER -54.51 -39.41 67.57 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.325 179.387 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 mttp -85.86 -45.37 11.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.114 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.479 ' O ' HG22 ' A' ' 33' ' ' ILE . 3.0 t80 -52.89 -37.35 60.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.885 0.374 . . . . 0.0 110.921 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.848 ' CD1' HD22 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -82.98 -33.11 26.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.924 179.882 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HG3' ' CZ3' ' A' ' 43' ' ' TRP . 5.0 tttt -73.09 -42.43 62.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.293 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.575 ' C ' HD12 ' A' ' 32' ' ' LEU . 1.9 pp -73.1 -43.15 62.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.309 -179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.548 ' N ' HD12 ' A' ' 32' ' ' LEU . 9.2 tp -60.16 -45.66 95.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 111.195 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.663 ' HB1' HG21 ' A' ' 39' ' ' VAL . . . -62.41 -56.54 17.31 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.079 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.22 -27.02 43.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.198 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.44 -27.69 21.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.571 ' O ' HG23 ' A' ' 38' ' ' THR . 0.0 OUTLIER -73.05 -80.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.973 -179.857 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.571 HG23 ' O ' ' A' ' 37' ' ' LYS . 0.1 OUTLIER -175.5 82.52 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.946 -179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG21 ' HB1' ' A' ' 34' ' ' ALA . 11.1 m -158.75 120.2 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.114 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -143.75 102.78 3.97 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -179.93 -129.86 1.4 Allowed Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.613 -0.803 . . . . 0.0 112.438 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.27 141.18 15.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.729 0.3 . . . . 0.0 110.933 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . 0.523 ' CD2' HG22 ' A' ' 54' ' ' VAL . 27.5 m95 -108.87 114.61 28.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.055 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -107.22 173.1 6.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.629 179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -155.37 156.02 34.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.936 0.398 . . . . 0.0 111.17 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.69 122.97 25.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.741 179.817 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -84.73 4.83 30.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.603 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.604 ' CB ' HD13 ' A' ' 49' ' ' ILE . 42.9 mt-10 -63.89 -53.84 44.11 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.766 0.317 . . . . 0.0 110.899 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.698 ' N ' HD13 ' A' ' 49' ' ' ILE . 0.1 OUTLIER -142.15 31.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 179.892 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.449 ' HB3' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 60.62 90.55 0.06 Allowed 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.899 179.846 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.663 HG22 ' HB2' ' A' ' 4' ' ' LYS . 25.3 p -146.81 133.43 19.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.154 0.502 . . . . 0.0 111.954 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.516 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -103.64 150.44 23.99 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.475 178.704 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.678 HG22 ' CB ' ' A' ' 6' ' ' ILE . 7.9 p -144.77 132.64 21.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.006 0.431 . . . . 0.0 111.595 -179.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.523 HG22 ' CD2' ' A' ' 43' ' ' TRP . 12.7 t -120.55 100.24 8.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.789 179.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 HG23 ' HB3' ' A' ' 8' ' ' ASN . 60.2 m -98.87 133.1 43.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.23 0.538 . . . . 0.0 110.753 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.551 -0.737 . . . . 0.0 110.843 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.787 0.327 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.426 ' HA ' ' HA ' ' A' ' 19' ' ' GLU . 6.3 t -85.66 131.46 34.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.976 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -111.4 124.08 51.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.695 179.842 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.516 ' HG2' HD11 ' A' ' 6' ' ' ILE . 3.2 ttpt -99.63 158.71 15.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.841 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.067 HD22 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -139.4 135.0 33.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.885 0.374 . . . . 0.0 111.595 -179.838 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.886 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -140.17 102.83 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.253 178.749 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.067 HD11 HD22 ' A' ' 5' ' ' LEU . 2.6 mp -108.38 136.96 47.14 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.976 0.417 . . . . 0.0 111.8 -179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 56' ' ' GLU . 21.6 t30 -116.35 129.1 56.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.147 179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.654 HD13 HG21 ' A' ' 38' ' ' THR . 0.1 OUTLIER -134.74 88.0 2.4 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.985 0.422 . . . . 0.0 110.652 -179.674 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.6 mmtm 62.58 -79.32 0.03 OUTLIER 'General case' 0 N--CA 1.456 -0.141 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.077 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -119.85 -36.31 3.32 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.102 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -90.54 141.1 29.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 111.201 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.09 156.96 39.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.496 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.566 ' HB2' HD13 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -118.14 140.19 50.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.978 0.418 . . . . 0.0 111.227 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.433 ' OE2' HG23 ' A' ' 6' ' ' ILE . 2.4 mm-40 -131.73 134.92 46.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.594 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -154.0 157.85 39.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.863 0.363 . . . . 0.0 111.512 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.7 mp -137.17 131.86 46.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.919 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.47 ' HB2' ' CE1' ' A' ' 30' ' ' PHE . 9.5 tptp -142.51 116.98 9.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.016 -179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 2' ' ' THR . 2.2 mp0 -101.89 105.25 16.04 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.242 179.371 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.544 HD22 ' CA ' ' A' ' 26' ' ' ALA . 7.4 mp -105.98 -174.08 2.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.942 -179.713 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.5 p -71.25 -35.88 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.341 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -138.43 -149.21 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.733 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.471 ' O ' ' HB2' ' A' ' 27' ' ' GLU . . . -118.72 4.79 11.56 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 -179.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -88.93 -64.6 1.3 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.104 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.458 ' HB ' HD23 ' A' ' 20' ' ' LEU . 0.0 OUTLIER -55.68 -32.32 63.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.784 0.326 . . . . 0.0 110.487 179.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.544 ' CA ' HD22 ' A' ' 20' ' ' LEU . . . -79.59 -33.21 41.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.625 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.471 ' HB2' ' O ' ' A' ' 23' ' ' ALA . 6.1 tt0 -69.86 -31.99 70.13 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.841 0.353 . . . . 0.0 110.782 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -79.31 -51.05 9.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.113 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -55.35 -44.92 76.4 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.096 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' A' ' 18' ' ' LYS . 0.8 OUTLIER -67.74 -37.19 81.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.725 179.884 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.1 mttm -69.75 -32.23 70.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.513 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.7 tp -72.69 -56.66 4.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.964 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.487 HG23 ' N ' ' A' ' 34' ' ' ALA . 9.0 tp -57.11 -44.9 84.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.194 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.487 ' N ' HG23 ' A' ' 33' ' ' ILE . . . -59.25 -38.86 81.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.071 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.526 ' HA ' HG11 ' A' ' 39' ' ' VAL . 1.5 m-20 -74.08 -25.65 59.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.93 -28.8 29.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.34 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 4.9 mmtm -79.45 -79.82 0.13 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.075 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.654 HG21 HD13 ' A' ' 9' ' ' LEU . 1.1 m -137.11 126.58 25.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.94 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.567 HG13 ' O ' ' A' ' 38' ' ' THR . 0.5 OUTLIER -161.16 102.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.957 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -155.13 26.08 0.42 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.108 179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -140.85 -132.71 2.86 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.559 -0.829 . . . . 0.0 112.569 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -108.99 142.98 20.08 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.015 0.436 . . . . 0.0 111.203 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TRP . . . . . . . . . . . . . 7.1 m95 -97.09 149.7 21.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.821 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -147.22 127.83 14.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.038 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 91.0 t80 -110.77 137.33 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.787 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.7 mttm -112.12 119.8 39.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.766 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -97.23 29.85 3.02 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.033 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -84.36 -28.92 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.87 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.706 ' O ' HG23 ' A' ' 49' ' ' ILE . 0.2 OUTLIER -167.69 34.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.283 0.564 . . . . 0.0 110.554 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.427 ' HG2' ' CE1' ' A' ' 3' ' ' TYR . 0.0 OUTLIER 61.65 79.41 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.895 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 6.7 t -146.55 128.15 15.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.343 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.765 ' O ' HD23 ' A' ' 5' ' ' LEU . 0.1 OUTLIER -99.55 145.97 26.93 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.186 179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.635 HG22 ' HB ' ' A' ' 6' ' ' ILE . 16.5 p -144.81 136.15 25.24 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.987 0.423 . . . . 0.0 111.381 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.503 HG11 HG12 ' A' ' 39' ' ' VAL . 23.0 t -119.65 100.44 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.796 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.46 147.99 24.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.116 -179.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 8' ' ' ASN . 23.1 tt0 . . . . . 0 C--O 1.246 0.88 0 CA-C-O 118.655 -0.688 . . . . 0.0 111.592 -179.945 . . . . . . . . 1 1 . 1 stop_ save_